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: | 993 | |
|---|---|---|
| Name: | N-cyclopentyl-N'-phenylcarbamimidic acid | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 3-Phenyl-1-cyclopentylurea | |
| Labels: | ||
| CAS: | 13140-89-1 | |
| InChi Code: | InChI=1S/C12H16N2O/c15-12(14-11-8-4-5-9-11)13-10-6-2-1-3-7-10/h1-3,6-7,11H,4-5,8-9H2,(H2,13,14,15) |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 1.93 |
experimental value |
| 2.0419 |
Tab2.Model_2: logKoc (Training set) |