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:817
Name:N-(2-chlorophenyl)ethanimidic acid
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: 2-Chloroacetanilide
Labels:
CAS:533-17-5
InChi Code:InChI=1S/C8H8ClNO/c1-6(11)10-8-5-3-2-4-7(8)9/h2-5H,1H3,(H,10,11)

Properties

M2.logKoc: Soil sorption coefficient as log(Koc) i

ValueSource or prediction
1.58

experimental value

1.9571

Tab2.Model_2: logKoc (Training set)