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:	1060
	Name:	2,2',3,4,5'-pentachloro-1,1'-biphenyl
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: 2.2'.3.4.5'-Pentachloro-1.1'-biphenyl
	Labels:
	CAS:	38380-02-8
	InChi Code:	InChI=1S/C12H5Cl5/c13-6-1-3-9(14)8(5-6)7-2-4-10(15)12(17)11(7)16/h1-5H

Properties

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

Value	Source or prediction
4.68	experimental value
4.9	Tab2.Model_2: logKoc (Training set)

M5.logHLn: Biotransformation half-lives in fish

Value	Source or prediction
2.308325461	experimental value
2.1063	Tab2.Model_5: Metab. biotransf. fish (Training set)

Links to External Resources

Link	Resource description
DTXSID6073497	US EPA CompTox Dashboard