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: | 1015 | |
|---|---|---|
| Name: | 4-amino-6-tert-butyl-3-(methylsulfanyl)-4,5-dihydro-1,2,4-triazin-5-one | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Metribuzin | |
| Labels: | ||
| CAS: | 21087-64-9 | |
| InChi Code: | InChI=1S/C8H14N4OS/c1-8(2,3)5-6(13)12(9)7(14-4)11-10-5/h9H2,1-4H3 |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 1.85 |
experimental value |
| 1.3028 |
Tab2.Model_2: logKoc (Training set) |