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:1436
Name:2,4',6-trichloro-1,1'-biphenyl
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: 2.4'.6-trichlorobiphenyl (PCB 32)
Labels:
CAS:38444-77-8
InChi Code:InChI=1S/C12H7Cl3/c13-9-6-4-8(5-7-9)12-10(14)2-1-3-11(12)15/h1-7H

Properties

M5.logHLn: Biotransformation half-lives in fish

ValueSource or prediction
2.437492161

experimental value

1.7061

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

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