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:1476
Name:1,2,3,6,7,8-hexachlorooxanthrene
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: 1.2.3.6.7.8-Hexachlorodibenzo-p-dioxin
Labels:
CAS:57653-85-7
InChi Code:InChI=1S/C12H2Cl6O2/c13-3-1-5-11(9(17)7(3)15)20-6-2-4(14)8(16)10(18)12(6)19-5/h1-2H

Properties

M5.logHLn: Biotransformation half-lives in fish

ValueSource or prediction
1.210825461

experimental value

1.9823

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

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