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:535
Name:2-chlorobenzoic acid
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: benzoic acid, 2-chloro-
Labels:
CAS:118-91-2
InChi Code:InChI=1S/C7H5ClO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10)

Properties

M3.GHLI: Global half-life index i

ValueSource or prediction
0.70051

experimental value

-0.6563

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

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