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:1020
Name:(2Z)-N,N-dimethyl-2-{[(methyl-C-hydroxycarbonimidoyl)oxy]imino}-2-(methylsulfanyl)acetamide
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: Oxamyl
Labels:
CAS:23135-22-0
InChi Code:InChI=1S/C7H13N3O3S/c1-8-7(12)13-9-5(14-4)6(11)10(2)3/h1-4H3,(H,8,12)/b9-5-

Properties

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

ValueSource or prediction
1

experimental value

1.5476

Tab2.Model_2: logKoc (Training set)