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:	1049
	Name:	2,2',4,4',5,5'-hexachloro-1,1'-biphenyl
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: 2.2'.4.4'.5.5'-Hexachloro-1.1'-biphenyl
	Labels:
	CAS:	35065-27-1
	InChi Code:	InChI=1S/C12H4Cl6/c13-7-3-11(17)9(15)1-5(7)6-2-10(16)12(18)4-8(6)14/h1-4H

Properties

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

Value	Source or prediction
5.87	experimental value
5.1599	Tab2.Model_2: logKoc (Training set)

M5.logHLn: Biotransformation half-lives in fish

Value	Source or prediction
2.546539761	experimental value
2.2983	Tab2.Model_5: Metab. biotransf. fish (Training set)

Links to External Resources

Link	Resource description
DTXSID2032180	US EPA CompTox Dashboard