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:452
Name:4-(2,4-dichlorophenoxy)butanoic acid
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: 2,4-dichlorophenoxybutyric acid
Labels:
CAS:94-82-6
InChi Code:InChI=1S/C10H10Cl2O3/c11-7-3-4-9(8(12)6-7)15-5-1-2-10(13)14/h3-4,6H,1-2,5H2,(H,13,14)

Properties

M3.GHLI: Global half-life index i

ValueSource or prediction
-1.27102

experimental value

0.1034

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

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