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:1440
Name:1,2,3,4,7,8-hexachlorooxanthrene
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: 1.2.3.4.7.8-Hexachlorodibenzo-p-dioxin
Labels:
CAS:39227-28-6
InChi Code:InChI=1S/C12H2Cl6O2/c13-3-1-5-6(2-4(3)14)20-12-10(18)8(16)7(15)9(17)11(12)19-5/h1-2H

Properties

M5.logHLn: Biotransformation half-lives in fish

ValueSource or prediction
1.270825461

experimental value

1.9823

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

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