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:1465
Name:2,2',3,3',4,4',5,6,6'-nonachloro-1,1'-biphenyl
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: 2.2'.3.3'.4.4'.5.6.6'-nonachlorobiphenyl (PCB 207)
Labels:
CAS:52663-79-3
InChi Code:InChI=1S/C12HCl9/c13-2-1-3(14)6(15)7(16)4(2)5-8(17)10(19)12(21)11(20)9(5)18/h1H

Properties

M5.logHLn: Biotransformation half-lives in fish

ValueSource or prediction
2.657492161

experimental value

2.8657

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

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