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: | 1065 | |
|---|---|---|
| Name: | 4-amino-3-methyl-6-phenyl-4,5-dihydro-1,2,4-triazin-5-one | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Metamitron | |
| Labels: | ||
| CAS: | 41394-05-2 | |
| InChi Code: | InChI=1S/C10H10N4O/c1-7-12-13-9(10(15)14(7)11)8-5-3-2-4-6-8/h2-6H,11H2,1H3 |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 2.17 |
experimental value |
| 1.4156 |
Tab2.Model_2: logKoc (Training set) |