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:953
Name:methyl N-(4-aminophenyl)sulfonylcarbamate
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: Asulam
Labels:
CAS:3337-71-1
InChi Code:InChI=1S/C8H10N2O4S/c1-14-8(11)10-15(12,13)7-4-2-6(9)3-5-7/h2-5H,9H2,1H3,(H,10,11)

Properties

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

ValueSource or prediction
2.04

experimental value

1.1827

Tab2.Model_2: logKoc (Training set)