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: | 872 | |
|---|---|---|
| Name: | N-tert-butyl-4-(ethylimino)-6-(methylsulfanyl)-1,4-dihydro-1,3,5-triazin-2-amine | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Terbutryn | |
| Labels: | ||
| CAS: | 886-50-0 | |
| InChi Code: | InChI=1S/C10H19N5S/c1-6-11-7-12-8(15-10(2,3)4)14-9(13-7)16-5/h6H2,1-5H3,(H2,11,12,13,14,15) |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 2.85 |
experimental value |
| 2.819 |
Tab2.Model_2: logKoc (Training set) |