SMILES	CAS	Chemical name	NOEC	Unit	Log Kow	Source
c1(Cl)c(Cl)cccc1	95-50-1	o-dichlorobenzene	-2,260	log (mmol/L)	3,43	ECETOC database in OECD toolbox, accessed Sept 2011
c1(Br)ccc(Br)cc1	106-37-6	1,4-dibromobenzene	-2,990	log (mmol/L)	3,79	ECETOC database in OECD toolbox, accessed Sept 2011
C(Cl)CCl	107-06-2	1,2-dichloroethane	-0,533	log (mmol/L)	1,48	ECETOC database in OECD toolbox, accessed Sept 2011
C(Cl)CCl	107-06-2	1,2-dichloroethane	-0,383	log (mmol/L)	1,48	ECETOC database in OECD toolbox, accessed Sept 2011
C(C)(=O)CC(C)C	108-10-1	4-methyl-2-pentanone	-0,245	log (mmol/L)	1,31	ECETOC database in OECD toolbox, accessed Sept 2011
C(C)(=O)CC(C)C	108-10-1	4-methyl-2-pentanone	-0,112	log (mmol/L)	1,31	ECETOC database in OECD toolbox, accessed Sept 2011
C(C)(=O)CC(C)C	108-10-1	4-methyl-2-pentanone	0,390	log (mmol/L)	1,31	ECETOC database in OECD toolbox, accessed Sept 2011
c1(Cl)ccccc1	108-90-7	chlorobenzene	-2,650	log (mmol/L)	2,84	ECETOC database in OECD toolbox, accessed Sept 2011
c1(Cl)ccccc2	108-90-7	chlorobenzene	-1,120	log (mmol/L)	2,84	ECETOC database in OECD toolbox, accessed Sept 2011
C(Cl)(Cl)Cl	67-66-3	chloroform	0,009	log (mmol/L)	1,97	ECETOC database in OECD toolbox, accessed Sept 2011
C(C)(Cl)(Cl)Cl	71-55-6	1,1,1-trichloroethane	-1,240	log (mmol/L)	2,49	ECETOC database in OECD toolbox, accessed Sept 2011
C(C)(Cl)CCl	78-87-5	1,2-dichloropropane	-1,050	log (mmol/L)	1,98	ECETOC database in OECD toolbox, accessed Sept 2011
C(Cl)(Cl)CCl	79-00-5	1,1,2-trichloroethane	-1,350	log (mmol/L)	1,89	ECETOC database in OECD toolbox, accessed Sept 2011
C(Cl)(Cl)CCl	79-00-5	1,1,2-trichloroethane	-0,955	log (mmol/L)	1,89	ECETOC database in OECD toolbox, accessed Sept 2011
C(Cl)(Cl)CCl	79-00-5	1,1,2-trichloroethane	-0,866	log (mmol/L)	1,89	ECETOC database in OECD toolbox, accessed Sept 2011
C(Cl)(Cl)CCl	79-00-5	1,1,2-trichloroethane	-0,662	log (mmol/L)	1,89	ECETOC database in OECD toolbox, accessed Sept 2011
c1(OCC(=O)O)c(Cl)cc(Cl)cc1	94-75-7	2,4-dichlorophenoxyacetic acid	-3,740	log (mmol/L)	2,81	ECETOC database in OECD toolbox, accessed Sept 2011
c1(OCC(=O)O)c(Cl)cc(Cl)cc1	94-75-7	2,4-dichlorophenoxyacetic acid	-0,910	log (mmol/L)	2,81	ECETOC database in OECD toolbox, accessed Sept 2011
c1(OCC(=O)O)c(Cl)cc(Cl)cc1	94-75-7	2,4-dichlorophenoxyacetic acid	-0,867	log (mmol/L)	2,81	ECETOC database in OECD toolbox, accessed Sept 2011
c1ccccc1	71-43-2	benzene	-0,884	log (mmol/L)	2,13	ECETOC database in OECD toolbox, accessed Sept 2011
C(C)(=O)CC	78-93-3	methyl ethyl ketone	0,142	log (mmol/L)	0,29	ECETOC database in OECD toolbox, accessed Sept 2011
C(Cl)(Cl)=CCl	79-01-6	trichloroethylene	-1,690	log (mmol/L)	2,42	ECETOC database in OECD toolbox, accessed Sept 2011
C(Cl)(Cl)=CCl	79-01-6	trichloroethylene	-1,360	log (mmol/L)	2,42	ECETOC database in OECD toolbox, accessed Sept 2011
C(Cl)(Cl)=CCl	79-01-6	trichloroethylene	-1,090	log (mmol/L)	2,42	ECETOC database in OECD toolbox, accessed Sept 2011
C(Cl)(Cl)=CCl	79-01-6	trichloroethylene	-0,516	log (mmol/L)	2,42	ECETOC database in OECD toolbox, accessed Sept 2011
c1(C)ccc(C)cc1	106-42-3	p-xylene	-2,410	log (mmol/L)	3,15	ECETOC database in OECD toolbox, accessed Sept 2011
c1(C)ccccc1	108-88-3	toluene	-2,110	log (mmol/L)	2,73	ECETOC database in OECD toolbox, accessed Sept 2011
c1(C)ccccc2	108-88-3	toluene	-1,230	log (mmol/L)	2,73	ECETOC database in OECD toolbox, accessed Sept 2011
c1(Cl)c(Cl)cc(Cl)cc1	120-82-1	1,2,4-trichlorobenzene	-2,940	log (mmol/L)	4,02	ECETOC database in OECD toolbox, accessed Sept 2011
c1(Cl)c(Cl)cc(Cl)cc1	120-82-1	1,2,4-trichlorobenzene	-2,840	log (mmol/L)	4,02	ECETOC database in OECD toolbox, accessed Sept 2011
c1(Cl)c(Cl)cc(Cl)cc1	120-82-1	1,2,4-trichlorobenzene	-2,560	log (mmol/L)	4,02	ECETOC database in OECD toolbox, accessed Sept 2011
C(Br)CBr	106-93-4	1,2-dibromoethane	-1,510	log (mmol/L)	1,96	ECETOC database in OECD toolbox, accessed Sept 2011
C(Br)CBr	106-93-4	1,2-dibromoethane	-1,290	log (mmol/L)	1,96	ECETOC database in OECD toolbox, accessed Sept 2011
C(Cl)(Cl)(Cl)C(Cl)(Cl)Cl	67-72-1	hexachloroethane	-3,540	log (mmol/L)	4,14	ECETOC database in OECD toolbox, accessed Sept 2011
C(Cl)(Cl)(Cl)C(Cl)(Cl)Cl	67-72-1	hexachloroethane	-2,590	log (mmol/L)	4,14	ECETOC database in OECD toolbox, accessed Sept 2011
C(Cl)(Cl)(Cl)Cl	56-23-5	tetrachloromethane	-0,618	log (mmol/L)	2,83	ECETOC database in OECD toolbox, accessed Sept 2011
C(Cl)(Cl)(Cl)Cl	56-23-5	tetrachloromethane	-0,342	log (mmol/L)	2,83	ECETOC database in OECD toolbox, accessed Sept 2011
C(Cl)(Cl)=C(Cl)Cl	127-18-4	tetrachloroethene	-2,520	log (mmol/L)	3,4	ECETOC database in OECD toolbox, accessed Sept 2011
C(Cl)(Cl)=C(Cl)Cl	127-18-4	tetrachloroethene	-2,220	log (mmol/L)	3,4	ECETOC database in OECD toolbox, accessed Sept 2011
C(Cl)(Cl)=C(Cl)Cl	127-18-4	tetrachloroethene	-2,070	log (mmol/L)	3,4	ECETOC database in OECD toolbox, accessed Sept 2011
C(Cl)(Cl)=C(Cl)Cl	127-18-4	tetrachloroethene	-1,940	log (mmol/L)	3,4	ECETOC database in OECD toolbox, accessed Sept 2011
C(Cl)(Cl)=C(Cl)Cl	127-18-4	tetrachloroethene	-1,920	log (mmol/L)	3,4	ECETOC database in OECD toolbox, accessed Sept 2011
C(Cl)(Cl)=C(Cl)Cl	127-18-4	tetrachloroethene	-1,850	log (mmol/L)	3,4	ECETOC database in OECD toolbox, accessed Sept 2011
C(Cl)(Cl)=C(Cl)Cl	127-18-4	tetrachloroethene	-0,989	log (mmol/L)	3,4	ECETOC database in OECD toolbox, accessed Sept 2011
C1CCCO1	109-99-9	tetrahydrofuran	0,477	log (mmol/L)	0,46	ECETOC database in OECD toolbox, accessed Sept 2011
C(Cl)(Cl)C(Cl)Cl	79-34-5	1,1,2,2-tetrachloroethane	-2,080	log (mmol/L)	2,39	ECETOC database in OECD toolbox, accessed Sept 2011
C(Cl)(Cl)C(Cl)Cl	79-34-5	1,1,2,2-tetrachloroethane	-1,530	log (mmol/L)	2,39	ECETOC database in OECD toolbox, accessed Sept 2011
C(Cl)(Cl)C(Cl)Cl	79-34-5	1,1,2,2-tetrachloroethane	-1,440	log (mmol/L)	2,39	ECETOC database in OECD toolbox, accessed Sept 2011
C(Cl)(Cl)C(Cl)Cl	79-34-5	1,1,2,2-tetrachloroethane	-1,390	log (mmol/L)	2,39	ECETOC database in OECD toolbox, accessed Sept 2011
C(Cl)(Cl)(Cl)C(Cl)Cl	76-01-7	pentachloroethane	-2,350	log (mmol/L)	3,22	ECETOC database in OECD toolbox, accessed Sept 2011
C(Cl)(Cl)(Cl)C(Cl)Cl	76-01-7	pentachloroethane	-1,840	log (mmol/L)	3,22	ECETOC database in OECD toolbox, accessed Sept 2011
C(O)CCC	71-36-3	butanol	-0,207	log (mmol/L)	0,88	ECETOC database in OECD toolbox, accessed Sept 2011
C(C)(O)CO	57-55-6	propylene glycol	0,110	log (mmol/L)	-0,92	ECETOC database in OECD toolbox, accessed Sept 2011
C(C)(O)CO	57-55-6	propylene glycol	0,119	log (mmol/L)	-0,92	ECETOC database in OECD toolbox, accessed Sept 2011
C(C)(O)CO	57-55-6	propylene glycol	0,550	log (mmol/L)	-0,92	ECETOC database in OECD toolbox, accessed Sept 2011
C(C)(O)CO	57-55-6	propylene glycol	2,180	log (mmol/L)	-0,92	ECETOC database in OECD toolbox, accessed Sept 2011
c1(Cl)cc(Cl)ccc1	541-73-1	1,3-dichlorobenzene	-2,320	log (mmol/L)	3,53	ECETOC database in OECD toolbox, accessed Sept 2011
c1(Cl)cc(Cl)ccc1	541-73-1	1,3-dichlorobenzene	-2,170	log (mmol/L)	3,53	ECETOC database in OECD toolbox, accessed Sept 2011
c1(Cl)cc(Cl)ccc1	541-73-1	1,3-dichlorobenzene	-1,810	log (mmol/L)	3,53	ECETOC database in OECD toolbox, accessed Sept 2011
c1(Cl)cc(Cl)ccc1	106-46-7	1,4-dichlorobenzene	-2,810	log (mmol/L)	3,44	ECETOC database in OECD toolbox, accessed Sept 2011
c1(Cl)cc(Cl)ccc1	106-46-7	1,4-dichlorobenzene	-2,420	log (mmol/L)	3,44	ECETOC database in OECD toolbox, accessed Sept 2011
c1(Cl)cc(Cl)ccc1	106-46-7	1,4-dichlorobenzene	-2,410	log (mmol/L)	3,44	ECETOC database in OECD toolbox, accessed Sept 2011
c1(Cl)cc(Cl)ccc1	106-46-7	1,4-dichlorobenzene	-2,390	log (mmol/L)	3,44	ECETOC database in OECD toolbox, accessed Sept 2011
c1(Cl)cc(Cl)ccc1	106-46-7	1,4-dichlorobenzene	-2,210	log (mmol/L)	3,44	ECETOC database in OECD toolbox, accessed Sept 2011
c1(Cl)cc(Cl)ccc1	106-46-7	1,4-dichlorobenzene	-1,850	log (mmol/L)	3,44	ECETOC database in OECD toolbox, accessed Sept 2011
c12c3c(cccc3ccc1)CC2	83-32-9	acenaphthene	-2,670	log (mmol/L)	3,92	ECETOC database in OECD toolbox, accessed Sept 2011
c12c3c(cccc3ccc1)CC2	83-32-9	acenaphthene	-2,640	log (mmol/L)	3,92	ECETOC database in OECD toolbox, accessed Sept 2011
c12c3c(cccc3ccc1)CC2	83-32-9	acenaphthene	-2,480	log (mmol/L)	3,92	ECETOC database in OECD toolbox, accessed Sept 2011
c1(Cl)c(Cl)cc(Cl)c(Cl)c1	95-94-3	1,2,4,5-tetrachlorobenzene	-3,500	log (mmol/L)	4,64	ECETOC database in OECD toolbox, accessed Sept 2011
c1(Cl)c(Cl)cc(Cl)c(Cl)c1	95-94-3	1,2,4,5-tetrachlorobenzene	-3,320	log (mmol/L)	4,64	ECETOC database in OECD toolbox, accessed Sept 2011
c12c(c3c(cccc3)cc1)cccc2	85-01-8	phenanthrene	-4,550	log (mmol/L)	4,46	ECETOC database in OECD toolbox, accessed Sept 2011
c12c(c3c(cccc3)cc1)cccc2	85-01-8	phenanthrene	-4,100	log (mmol/L)	4,46	ECETOC database in OECD toolbox, accessed Sept 2011
c12c(c3c(cccc3)cc1)cccc2	85-01-8	phenanthrene	-3,970	log (mmol/L)	4,46	ECETOC database in OECD toolbox, accessed Sept 2011
c12c(c3c(cccc3)cc1)cccc2	85-01-8	phenanthrene	-3,670	log (mmol/L)	4,46	ECETOC database in OECD toolbox, accessed Sept 2011
c12c(c3c(cccc3)cc1)cccc2	85-01-8	phenanthrene	-3,610	log (mmol/L)	4,46	ECETOC database in OECD toolbox, accessed Sept 2011
c12c(c3c(cccc3)cc1)cccc2	85-01-8	phenanthrene	-3,430	log (mmol/L)	4,46	ECETOC database in OECD toolbox, accessed Sept 2011
c12c(c3c(cccc3)cc1)cccc2	85-01-8	phenanthrene	-2,970	log (mmol/L)	4,46	ECETOC database in OECD toolbox, accessed Sept 2011
c1(Cl)c(Cl)c(Cl)ccc1	87-61-6	1,2,3-trichlorobenzene	-3,760	log (mmol/L)	4,05	ECETOC database in OECD toolbox, accessed Sept 2011
c1(Cl)c(Cl)c(Cl)ccc1	87-61-6	1,2,3-trichlorobenzene	-3,470	log (mmol/L)	4,05	ECETOC database in OECD toolbox, accessed Sept 2011
c1(Cl)c(Cl)c(Cl)ccc1	87-61-6	1,2,3-trichlorobenzene	-2,750	log (mmol/L)	4,05	ECETOC database in OECD toolbox, accessed Sept 2011
c1(Cl)c(Cl)c(Cl)ccc1	87-61-6	1,2,3-trichlorobenzene	-2,610	log (mmol/L)	4,05	ECETOC database in OECD toolbox, accessed Sept 2011
c1(C)c(C)cccc1	95-47-6	1,2-dimethylbenzene	-1,720	log (mmol/L)	3,12	ECETOC database in OECD toolbox, accessed Sept 2011
c1(Cl)c(Cl)cc(C)cc1	95-75-0	3,4-dichlorotoluene	-3,310	log (mmol/L)	3,95	ECETOC database in OECD toolbox, accessed Sept 2011
c1(Cl)ccc(C)cc1	106-43-4	1-chloro-4-methylbenzene	-1,570	log (mmol/L)	3,33	ECETOC database in OECD toolbox, accessed Sept 2011
c1(Cl)ccc(C)cc2	106-43-4	1-chloro-4-methylbenzene	-1,320	log (mmol/L)	3,33	ECETOC database in OECD toolbox, accessed Sept 2011
C(O)CCCCCCC	111-87-5	octan-1-ol	-2,240	log (mmol/L)	3	ECETOC database in OECD toolbox, accessed Sept 2011
C(O)CCCCCCC	111-87-5	octan-1-ol	-2,040	log (mmol/L)	3	ECETOC database in OECD toolbox, accessed Sept 2011
C(O)CCCCCCC	111-87-5	octan-1-ol	-1,940	log (mmol/L)	3	ECETOC database in OECD toolbox, accessed Sept 2011
C(O)CCCCCCC	111-87-5	octan-1-ol	-1,640	log (mmol/L)	3	ECETOC database in OECD toolbox, accessed Sept 2011
C(O)CCCCCCC	111-87-5	octan-1-ol	-1,340	log (mmol/L)	3	ECETOC database in OECD toolbox, accessed Sept 2011
c1(OC)ccc(OC)cc1	150-78-7	1,4-dimethoxybenzene	-0,920	log (mmol/L)	2,04	ECETOC database in OECD toolbox, accessed Sept 2011
c1(Cl)c(Cl)c(Cl)c(Cl)cc1	634-66-2	2,3,4,5-tetrachloroaniline	-2,950	log (mmol/L)	4,6	ECETOC database in OECD toolbox, accessed Sept 2011
c1(Cl)c(Cl)c(Cl)c(Cl)cc1	634-66-2	2,3,4,5-tetrachloroaniline	-2,940	log (mmol/L)	4,6	ECETOC database in OECD toolbox, accessed Sept 2011
c1(Cl)c(Cl)c(Cl)c(Cl)cc1	634-66-2	2,3,4,5-tetrachloroaniline	-2,840	log (mmol/L)	4,6	ECETOC database in OECD toolbox, accessed Sept 2011
c1(Cl)c(Cl)c(Cl)c(Cl)cc1	634-66-2	2,3,4,5-tetrachloroaniline	-2,720	log (mmol/L)	4,6	ECETOC database in OECD toolbox, accessed Sept 2011
c1(Cl)c(Cl)cc2c(c1)Oc1c(cc(Cl)c(Cl)c1)O2	1746-01-6	2,3,7,8-tetrachlorodibenzo[b,e][1,4]dioxin	-9,930	log (mmol/L)	6,8	ECETOC database in OECD toolbox, accessed Sept 2011
c1(-c2cc(Cl)cc(Cl)c2)cc(Cl)cc(Cl)c1	12672-29-6	aroclor 1248	-5,770	log (mmol/L)	6,6	ECETOC database in OECD toolbox, accessed Sept 2011
c1(-c2cc(Cl)cc(Cl)c2)cc(Cl)cc(Cl)c2	12672-29-6	aroclor 1249	-5,120	log (mmol/L)	6,6	ECETOC database in OECD toolbox, accessed Sept 2011
c3(COc2cc1c(cccc1)cc2)ccccc3		2-(phenylmethoxy)naphthalene	-2,784	log (mmol/L)	4,46	ECETOC database in OECD toolbox, accessed Sept 2011
BrCCBr	106-93-4	1,2-dibromoethane	-1,510	log (mmol/L)	1,96	ECHA dissemination website, accessed Sept 2011
c1ccc(cc1)c2ccccc2	92-52-4	biphenyl	-2,828	log (mmol/L)	4	ECHA dissemination website, accessed Sept 2011
CC(Cl)CCl	78-87-5	1,2-dichloropropane	-1,275	log (mmol/L)	1,98	ECHA dissemination website, accessed Sept 2011
OCCOc1ccccc1	122-99-6	2-phenoxyethanol	-0,430	log (mmol/L)	1,2	ECHA dissemination website, accessed Sept 2011
OCCOc1ccccc1	122-99-6	2-phenoxyethanol	-0,779	log (mmol/L)	1,2	ECHA dissemination website, accessed Sept 2011
OCCOc1ccccc1	122-99-6	2-phenoxyethanol	-0,760	log (mmol/L)	1,2	ECHA dissemination website, accessed Sept 2011
OCCOc1ccccc1	122-99-6	2-phenoxyethanol	-0,117	log (mmol/L)	1,2	ECHA dissemination website, accessed Sept 2011
OCCOc1ccccc1	122-99-6	2-phenoxyethanol	-0,430	log (mmol/L)	1,2	ECHA dissemination website, accessed Sept 2011
C1C=CC2C3CC(C=C3)C12	77-73-6	3a,4,7,7a-tetrahydro-1H-4,7-methanoindene	-2,130	log (mmol/L)	2,78	ECHA dissemination website, accessed Sept 2011
CC1COCc2cc3c(cc12)C(C)(C)C(C)C3(C)C	1222-05-5	4,6,6,7,8,8-hexamethyl-1,3,4,6,7,8-hexahydrocyclopenta[g]isochromene	-3,580	log (mmol/L)	5,3	ECHA dissemination website, accessed Sept 2011
CC1COCc2cc3c(cc12)C(C)(C)C(C)C3(C)C	1222-05-5	4,6,6,7,8,8-hexamethyl-1,3,4,6,7,8-hexahydrocyclopenta[g]isochromene	-3,152	log (mmol/L)	5,3	ECHA dissemination website, accessed Sept 2011
Clc1ccccc1	108-90-7	chlorobenzene	-1,370	log (mmol/L)	2,98	ECHA dissemination website, accessed Sept 2011
ClCCl	75-09-2	dichloromethane	0,223	log (mmol/L)	1,25	ECHA dissemination website, accessed Sept 2011
ClCCl	75-09-2	dichloromethane	-0,010	log (mmol/L)	1,25	ECHA dissemination website, accessed Sept 2011
ClCCl	75-09-2	dichloromethane	0,223	log (mmol/L)	1,25	ECHA dissemination website, accessed Sept 2011
C(OC)(C)(C)C	1634-04-4	tert-butyl methyl ether	0,530	log (mmol/L)	1,06	ECHA dissemination website, accessed Sept 2011
C(OC)(C)(C)C	1634-04-4	tert-butyl methyl ether	0,708	log (mmol/L)	1,06	ECHA dissemination website, accessed Sept 2011
Oc1cc(Cl)ccc1Oc2ccc(Cl)cc2Cl	3380-34-5	5-chloro-2-(2,4-dichlorophenoxy)phenol	-3,929	log (mmol/L)	4,8	ECHA dissemination website, accessed Sept 2011