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: | 979 | |
|---|---|---|
| Name: | 3,3-dimethyl-1-(4-methylphenyl)urea | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 3-(4-Methylphenyl)-1,1-dimethylurea | |
| Labels: | ||
| CAS: | 7160-01-2 | |
| InChi Code: | InChI=1S/C10H14N2O/c1-8-4-6-9(7-5-8)11-10(13)12(2)3/h4-7H,1-3H3,(H,11,13) |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 1.51 |
experimental value |
| 1.9647 |
Tab2.Model_2: logKoc (Training set) |