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: | 645 | |
|---|---|---|
| Name: | N-phenylcarbamimidic acid | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Phenylurea | |
| Labels: | ||
| CAS: | 64-10-8 | |
| InChi Code: | InChI=1S/C7H8N2O/c8-7(10)9-6-4-2-1-3-5-6/h1-5H,(H3,8,9,10) |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 1.43 |
experimental value |
| 1.4125 |
Tab2.Model_2: logKoc (Training set) |