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: | 892 | |
|---|---|---|
| Name: | N-[4-(ethylimino)-6-methoxy-1,2,3,4-tetrahydro-1,3,5-triazin-2-ylidene]propan-2-amine | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Atratone | |
| Labels: | ||
| CAS: | 1610-17-9 | |
| InChi Code: | InChI=1S/C9H17N5O/c1-5-10-7-12-8(11-6(2)3)14-9(13-7)15-4/h6H,5H2,1-4H3,(H2,10,11,12,13,14) |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 2.64 |
experimental value |
| 2.36 |
Tab2.Model_2: logKoc (Training set) |