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: | 948 | |
|---|---|---|
| Name: | 3,5-dichloro-2,6-dimethyl-1,4-dihydropyridin-4-one | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Clopidol | |
| Labels: | ||
| CAS: | 2971-90-6 | |
| InChi Code: | InChI=1S/C7H7Cl2NO/c1-3-5(8)7(11)6(9)4(2)10-3/h1-2H3,(H,10,11) |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 2.76 |
experimental value |
| 2.4125 |
Tab2.Model_2: logKoc (Training set) |