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: | 1017 | |
|---|---|---|
| Name: | N-(3-chloro-4-methylphenyl)-N'-methylcarbamimidic acid | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 3-(3-Chloro-4-methylphenyl)-1-methylurea | |
| Labels: | ||
| CAS: | 22175-22-0 | |
| InChi Code: | InChI=1S/C9H11ClN2O/c1-6-3-4-7(5-8(6)10)12-9(13)11-2/h3-5H,1-2H3,(H2,11,12,13) |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 2.1 |
experimental value |
| 2.0383 |
Tab2.Model_2: logKoc (Training set) |