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: | 1050 | |
|---|---|---|
| Name: | 1-(4-chlorophenyl)-3-[(2,6-difluorophenyl)(hydroxy)methylidene]urea | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Diflubenzuron | |
| Labels: | ||
| CAS: | 35367-38-5 | |
| InChi Code: | InChI=1S/C14H9ClF2N2O2/c15-8-4-6-9(7-5-8)18-14(21)19-13(20)12-10(16)2-1-3-11(12)17/h1-7H,(H2,18,19,20,21) |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 3.83 |
experimental value |
| 2.7655 |
Tab2.Model_2: logKoc (Training set) |