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: | 918 | |
|---|---|---|
| Name: | N-[(1R,2R)-2-methylcyclohexyl]-N'-phenylcarbamimidic acid | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Siduron | |
| Labels: | ||
| CAS: | 1982-49-6 | |
| InChi Code: | InChI=1S/C14H20N2O/c1-11-7-5-6-10-13(11)16-14(17)15-12-8-3-2-4-9-12/h2-4,8-9,11,13H,5-7,10H2,1H3,(H2,15,16,17)/t11-,13-/m1/s1 |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 2.47 |
experimental value |
| 2.4037 |
Tab2.Model_2: logKoc (Training set) |