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:606
Name:4,12-dichloro-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(9),2(7),3,5,10,12-hexaene
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: 2,8-dichlorodibenzofuran
Labels:
CAS:5409-83-6
InChi Code:InChI=1S/C12H6Cl2O/c13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)15-11/h1-6H

Properties

M3.GHLI: Global half-life index i

ValueSource or prediction
1.39859

experimental value

1.637

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