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: | 873 | |
|---|---|---|
| Name: | N-cyclohexyl-N'-phenylcarbamimidic acid | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 3-Phenyl-1-cyclohexylurea | |
| Labels: | ||
| CAS: | 886-59-9 | |
| InChi Code: | InChI=1S/C13H18N2O/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2,(H2,14,15,16) |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 2.07 |
experimental value |
| 2.2047 |
Tab2.Model_2: logKoc (Training set) |