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: | 1083 | |
|---|---|---|
| Name: | 1-methyl-3-phenyl-5-[3-(trifluoromethyl)phenyl]-1,4-dihydropyridin-4-one | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Fluridone | |
| Labels: | ||
| CAS: | 59756-60-4 | |
| InChi Code: | InChI=1S/C19H14F3NO/c1-23-11-16(13-6-3-2-4-7-13)18(24)17(12-23)14-8-5-9-15(10-14)19(20,21)22/h2-12H,1H3 |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 2.75 |
experimental value |
| 3.5726 |
Tab2.Model_2: logKoc (Training set) |