Gramatica, P.; Cassani, S.; Chirico, N. QSARINS-chem: Insubria datasets and new QSAR/QSPR models for environmental pollutants in QSARINS. J. Comput. Chem. 2014, 35, 1036–1044.

Compound

	ID:	1075
	Name:	2,2',3,4,5,5',6-heptachloro-1,1'-biphenyl
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: 2.2'.3.4.5.5'.6'-Heptachloro-1.1'-biphenyl (PCB 185)
	Labels:
	CAS:	52712-05-7
	InChi Code:	InChI=1S/C12H3Cl7/c13-4-1-2-6(14)5(3-4)7-8(15)10(17)12(19)11(18)9(7)16/h1-3H

Properties

M2.logKoc: Soil sorption coefficient as log(Koc) i

Value	Source or prediction
5.77	experimental value
5.4341	Tab2.Model_2: logKoc (Training set)

M5.logHLn: Biotransformation half-lives in fish

Value	Source or prediction
2.477492161	experimental value
2.4953	Tab2.Model_5: Metab. biotransf. fish (Training set)

Links to External Resources

Link	Resource description
DTXSID1074175	US EPA CompTox Dashboard