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:622
Name:2-chlorooxanthrene
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: 2,7-dichlorodibenzo-p-dioxin
Labels:
CAS:39227-54-8
InChi Code:InChI=1S/C12H7ClO2/c13-8-5-6-11-12(7-8)15-10-4-2-1-3-9(10)14-11/h1-7H

Properties

M3.GHLI: Global half-life index i

ValueSource or prediction
1.05847

experimental value

1.1868

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

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