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:624
Name:1,2,3,4,7-pentachlorooxanthrene
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: 1,2,3,4,7-pentachlorodibenzo-p-dioxin
Labels:
CAS:39227-61-7
InChi Code:InChI=1S/C12H3Cl5O2/c13-4-1-2-5-6(3-4)19-12-10(17)8(15)7(14)9(16)11(12)18-5/h1-3H

Properties

M3.GHLI: Global half-life index i

ValueSource or prediction
2.34148

experimental value

2.7178

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

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