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: | 782 | |
|---|---|---|
| Name: | 1-(4-chlorophenyl)-3,3-dimethylurea | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Monuron | |
| Labels: | ||
| CAS: | 150-68-5 | |
| InChi Code: | InChI=1S/C9H11ClN2O/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 |
|---|---|
| 1.95 |
experimental value |
| 1.9976 |
Tab2.Model_2: logKoc (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID0020311 | US EPA CompTox Dashboard |