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:1438
Name:2,2',3,3'-tetrachloro-1,1'-biphenyl
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: 2.2'.3.3'-Tetrachloro-1.1'-biphenyl
Labels:
CAS:38444-93-8
InChi Code:InChI=1S/C12H6Cl4/c13-9-5-1-3-7(11(9)15)8-4-2-6-10(14)12(8)16/h1-6H

Properties

M5.logHLn: Biotransformation half-lives in fish

ValueSource or prediction
1.998825461

experimental value

1.9157

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

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