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: | 1013 | |
|---|---|---|
| Name: | N-(3-chloro-4-methoxyphenyl)-N'-methylcarbamimidic acid | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 3-(3-Chloro-4-methoxylphenyl)-1-methylurea | |
| Labels: | ||
| CAS: | 20782-57-4 | |
| InChi Code: | InChI=1S/C9H11ClN2O2/c1-11-9(13)12-6-3-4-8(14-2)7(10)5-6/h3-5H,1-2H3,(H2,11,12,13) |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 1.84 |
experimental value |
| 2.1372 |
Tab2.Model_2: logKoc (Training set) |