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: | 1034 | |
|---|---|---|
| Name: | 4-chloro-5-(methylamino)-2-[3-(trifluoromethyl)phenyl]-2,3-dihydropyridazin-3-one | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Norflurazon | |
| Labels: | ||
| CAS: | 27314-13-2 | |
| InChi Code: | InChI=1S/C12H9ClF3N3O/c1-17-9-6-18-19(11(20)10(9)13)8-4-2-3-7(5-8)12(14,15)16/h2-6,17H,1H3 |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 3.28 |
experimental value |
| 2.2862 |
Tab2.Model_2: logKoc (Training set) |