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: | 957 | |
|---|---|---|
| Name: | N-(3,4-dichlorophenyl)-N'-methylcarbamimidic acid | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 3-(3,4-Dichlorophenyl)-1-methylurea | |
| Labels: | ||
| CAS: | 3567-62-2 | |
| InChi Code: | InChI=1S/C8H8Cl2N2O/c1-11-8(13)12-5-2-3-6(9)7(10)4-5/h2-4H,1H3,(H2,11,12,13) |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 2.46 |
experimental value |
| 2.0711 |
Tab2.Model_2: logKoc (Training set) |