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: | 991 | |
|---|---|---|
| Name: | N-[3-(trifluoromethyl)phenyl]carbamimidic acid | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 3-Trifluoromethylphenylurea | |
| Labels: | ||
| CAS: | 13114-87-9 | |
| InChi Code: | InChI=1S/C8H7F3N2O/c9-8(10,11)5-2-1-3-6(4-5)13-7(12)14/h1-4H,(H3,12,13,14) |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 1.97 |
experimental value |
| 1.6532 |
Tab2.Model_2: logKoc (Training set) |