Molecule ID: mol14187
SMILES: CCn1nnnc1N[N+](=O)[O-]
InChI: InChI=1S/C3H6N6O2/c1-2-8-3(4-6-7-8)5-9(10)11/h2H2,1H3,(H,4,5,7)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.30 | QSARToolbox | 0 » -1 |
| 2.02 | Datawarrior | 0 » -1 |
| 2.02 | OCHEM | 0 » -1 |
| 2.74 | QSARToolbox | 0 » -1 |