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:	1061
	Name:	2,2',3,3',4,4'-hexachloro-1,1'-biphenyl
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: 2.2'.3.3'.4.4'-Hexachloro-1.1'-biphenyl
	Labels:
	CAS:	38380-07-3
	InChi Code:	InChI=1S/C12H4Cl6/c13-7-3-1-5(9(15)11(7)17)6-2-4-8(14)12(18)10(6)16/h1-4H

Properties

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

Value	Source or prediction
5.74	experimental value
5.1801	Tab2.Model_2: logKoc (Training set)

M5.logHLn: Biotransformation half-lives in fish

Value	Source or prediction
2.640825461	experimental value
2.3123	Tab2.Model_5: Metab. biotransf. fish (Training set)

Links to External Resources

Link	Resource description
DTXSID50858932	US EPA CompTox Dashboard