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: | 1055 | |
|---|---|---|
| Name: | N'-(3,5-dimethylphenyl)-N,N-dimethylcarbamimidic acid | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 3-(3,5-Dimethylphenyl)-1,1-dimethylurea | |
| Labels: | ||
| CAS: | 36627-56-2 | |
| InChi Code: | InChI=1S/C11H16N2O/c1-8-5-9(2)7-10(6-8)12-11(14)13(3)4/h5-7H,1-4H3,(H,12,14) |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 1.73 |
experimental value |
| 2.1788 |
Tab2.Model_2: logKoc (Training set) |