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: | 1014 | |
|---|---|---|
| Name: | N-(3-chlorophenyl)-N'-methylcarbamimidic acid | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 3-(3-Chlorophenyl)-1-methylurea | |
| Labels: | ||
| CAS: | 20940-42-5 | |
| InChi Code: | InChI=1S/C8H9ClN2O/c1-10-8(12)11-7-4-2-3-6(9)5-7/h2-5H,1H3,(H2,10,11,12) |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 1.93 |
experimental value |
| 1.8144 |
Tab2.Model_2: logKoc (Training set) |