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:930
Name:N,N-dimethyl-N'-[3-(trifluoromethyl)phenyl]carbamimidic acid
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: Fluometuron
Labels:
CAS:2164-17-2
InChi Code:InChI=1S/C10H11F3N2O/c1-15(2)9(16)14-8-5-3-4-7(6-8)10(11,12)13/h3-6H,1-2H3,(H,14,16)

Properties

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

ValueSource or prediction
2

experimental value

2.1054

Tab2.Model_2: logKoc (Training set)