10967/177 - QDB Compounds

QsarDB Repository

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:1450
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:41464-51-1
InChi Code:InChI=1S/C12H5Cl5/c13-8-3-1-2-6(12(8)17)7-4-10(15)11(16)5-9(7)14/h1-5H

Properties

M5.logHLn: Biotransformation half-lives in fish

ValueSource or prediction
2.547492161

experimental value

2.0992

Tab2.Model_5: Metab. biotransf. fish (Training set)

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