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:1496
Name:2,2',3,4,5',6-hexachloro-1,1'-biphenyl
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: 2.2'.3.4.5'.6-hexachlorobiphenyl (PCB 144)
Labels:
CAS:68194-14-9
InChi Code:InChI=1S/C12H4Cl6/c13-5-1-2-7(14)6(3-5)10-8(15)4-9(16)11(17)12(10)18/h1-4H

Properties

M5.logHLn: Biotransformation half-lives in fish

ValueSource or prediction
2.234158761

experimental value

2.2963

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

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