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:1414
Name:3,3',4,4'-tetrachloro-1,1'-biphenyl
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: 3.3'.4.4'-Tetrachloro-1.1'-biphenyl
Labels:
CAS:32598-13-3
InChi Code:InChI=1S/C12H6Cl4/c13-9-3-1-7(5-11(9)15)8-2-4-10(14)12(16)6-8/h1-6H

Properties

M5.logHLn: Biotransformation half-lives in fish

ValueSource or prediction
1.352948384

experimental value

1.9049

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

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