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:1448
Name:2,3,3',4'-tetrachloro-1,1'-biphenyl
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: 2.3.3'.4'-tetrachlorobiphenyl (PCB 56)
Labels:
CAS:41464-43-1
InChi Code:InChI=1S/C12H6Cl4/c13-9-5-4-7(6-11(9)15)8-2-1-3-10(14)12(8)16/h1-6H

Properties

M5.logHLn: Biotransformation half-lives in fish

ValueSource or prediction
2.465825461

experimental value

1.9017

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

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