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:1101
Name:N-(4-fluoro-3-methylphenyl)carbamimidic acid
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: 3-Methyl-4-fluorophenylurea
Labels:
CAS:78508-45-9
InChi Code:InChI=1S/C8H9FN2O/c1-5-4-6(11-8(10)12)2-3-7(5)9/h2-4H,1H3,(H3,10,11,12)

Properties

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

ValueSource or prediction
1.75

experimental value

1.4683

Tab2.Model_2: logKoc (Training set)