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: | 929 | |
|---|---|---|
| Name: | 4-(ethylimino)-6-[(propan-2-yl)imino]-1,4,5,6-tetrahydro-1,3,5-triazin-2-ol | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Hydroxyatrazine | |
| Labels: | ||
| CAS: | 2163-68-0 | |
| InChi Code: | InChI=1S/C8H15N5O/c1-4-9-6-11-7(10-5(2)3)13-8(14)12-6/h5H,4H2,1-3H3,(H3,9,10,11,12,13,14) |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 2.95 |
experimental value |
| 1.7934 |
Tab2.Model_2: logKoc (Training set) |