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: | 857 | |
|---|---|---|
| Name: | N-[6-(ethylimino)-4-methoxy-1,2,5,6-tetrahydro-1,3,5-triazin-2-ylidene]ethan-1-amine | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Simatone | |
| Labels: | ||
| CAS: | 673-04-1 | |
| InChi Code: | InChI=1S/C8H15N5O/c1-4-9-6-11-7(10-5-2)13-8(12-6)14-3/h4-5H2,1-3H3,(H2,9,10,11,12,13) |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 2.34 |
experimental value |
| 2.1405 |
Tab2.Model_2: logKoc (Training set) |