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: | 906 | |
|---|---|---|
| Name: | 4-chloro-N-ethyl-6-(ethylimino)-N-(propan-2-yl)-1,6-dihydro-1,3,5-triazin-2-amine | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Ipazine | |
| Labels: | ||
| CAS: | 1912-25-0 | |
| InChi Code: | InChI=1S/C10H18ClN5/c1-5-12-9-13-8(11)14-10(15-9)16(6-2)7(3)4/h7H,5-6H2,1-4H3,(H,12,13,14,15) |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 3.07 |
experimental value |
| 2.725 |
Tab2.Model_2: logKoc (Training set) |