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:1447
Name:2,2',3,5'-tetrachloro-1,1'-biphenyl
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: 2.2'.3.5'-Tetrachloro-1.1'-biphenyl
Labels:
CAS:41464-39-5
InChi Code:InChI=1S/C12H6Cl4/c13-7-4-5-10(14)9(6-7)8-2-1-3-11(15)12(8)16/h1-6H

Properties

M5.logHLn: Biotransformation half-lives in fish

ValueSource or prediction
2.328825461

experimental value

1.9017

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

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