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: | 807 | |
|---|---|---|
| Name: | 1-(4-fluorophenyl)-3,3-dimethylurea | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 3-(4-Fluorophenyl)-1,1-dimethylurea | |
| Labels: | ||
| CAS: | 332-33-2 | |
| InChi Code: | InChI=1S/C9H11FN2O/c1-12(2)9(13)11-8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H,11,13) |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 1.43 |
experimental value |
| 1.7573 |
Tab2.Model_2: logKoc (Training set) |