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:605
Name:1-chloro-2-[2,2-dichloro-1-(4-chlorophenyl)ethenyl]benzene
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: 1-(2-chlorophenyl)-1-(4-chlorophenyl)- 2,2-dichloroethylene
Labels:
CAS:3424-82-6
InChi Code:InChI=1S/C14H8Cl4/c15-10-7-5-9(6-8-10)13(14(17)18)11-3-1-2-4-12(11)16/h1-8H

Properties

M3.GHLI: Global half-life index i

ValueSource or prediction
3.7764

experimental value

3.0271

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

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