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:616
Name:1,2,3,4-tetrachlorooxanthrene
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: 1.2.3.4-Tetrachlorodibenzo-p-dioxin
Labels:
CAS:30746-58-8
InChi Code:InChI=1S/C12H4Cl4O2/c13-7-8(14)10(16)12-11(9(7)15)17-5-3-1-2-4-6(5)18-12/h1-4H

Properties

M3.GHLI: Global half-life index i

ValueSource or prediction
2.09756

experimental value

2.3311

Tab2.Model_3: Global half-life index (Training set)

M5.logHLn: Biotransformation half-lives in fish

ValueSource or prediction
1.020825461

experimental value

1.2219

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

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