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: | 150 | |
|---|---|---|
| Name: | 1,3,5-triazinane-2,4,6-triimine | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Melamine | |
| Labels: | ||
| CAS: | 108-78-1 | |
| InChi Code: | InChI=1S/C3H6N6/c4-1-7-2(5)9-3(6)8-1/h(H6,4,5,6,7,8,9) |
Properties
M21.pEC50: 72-h Algal toxicity as log(1/EC50) [-log(mol/L)]
| Value | Source or prediction |
|---|---|
| 3.1 |
experimental value |
| 3.4942 |
Tab2.Model_21: (B)TAZ P. subcapitata EC50 (Training set) |
M23.pLC50: 96-h Rainbow trout toxicity as log(1/LC50) [-log(mol/L)]
| Value | Source or prediction |
|---|---|
| 3.02 |
experimental value |
| 2.4547 |
Tab2.Model_23: (B)TAZ O. mykiss LC50 (Training set) |