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:596
Name:2,3,7,8-tetrachlorooxanthrene
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: 2.3.7.8-Tetrachlorodibenzo[b.e][1.4]dioxin
Labels:
CAS:1746-01-6
InChi Code:InChI=1S/C12H4Cl4O2/c13-5-1-9-10(2-6(5)14)18-12-4-8(16)7(15)3-11(12)17-9/h1-4H

Properties

M3.GHLI: Global half-life index i

ValueSource or prediction
2.09756

experimental value

2.3802

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

M5.logHLn: Biotransformation half-lives in fish

ValueSource or prediction
1.779396861

experimental value

1.6283

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

Links to External Resources