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:633
Name:carbamimidic acid
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: Urea
Labels:
CAS:57-13-6
InChi Code:InChI=1S/CH4N2O/c2-1(3)4/h(H4,2,3,4)

Properties

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

ValueSource or prediction
1.03

experimental value

0.3376

Tab2.Model_2: logKoc (Training set)

Links to External Resources