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: | 917 | |
|---|---|---|
| Name: | 1-[4-(4-chlorophenoxy)phenyl]-3,3-dimethylurea | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Chloroxuron | |
| Labels: | ||
| CAS: | 1982-47-4 | |
| InChi Code: | InChI=1S/C15H15ClN2O2/c1-18(2)15(19)17-12-5-9-14(10-6-12)20-13-7-3-11(16)4-8-13/h3-10H,1-2H3,(H,17,19) |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 3.53 |
experimental value |
| 3.3629 |
Tab2.Model_2: logKoc (Training set) |