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:806
Name:N'-(3-fluorophenyl)-N,N-dimethylcarbamimidic acid
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: 3-(3-Fluorophenyl)-1,1-dimethylurea
Labels:
CAS:330-39-2
InChi Code:InChI=1S/C9H11FN2O/c1-12(2)9(13)11-8-5-3-4-7(10)6-8/h3-6H,1-2H3,(H,11,13)

Properties

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

ValueSource or prediction
1.73

experimental value

1.7213

Tab2.Model_2: logKoc (Training set)