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: | 52 | |
|---|---|---|
| Name: | 6-methoxy-4-methyl-1,2-dihydro-1,3,5-triazin-2-imine | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 2-Amino-4-methoxy-6-methyl-1,3,5-triazine | |
| Labels: | ||
| CAS: | 1668-54-8 | |
| InChi Code: | InChI=1S/C5H8N4O/c1-3-7-4(6)9-5(8-3)10-2/h1-2H3,(H2,6,7,8,9) |
Properties
M22.pEC50: Daphnia toxicity as log(1/EC50) [-log(mol/L)]
| Value | Source or prediction |
|---|---|
| 3.15 |
experimental value |
| 3.5343 |
Tab2.Model_22: (B)TAZ D.magna EC50 (Training set) |