Molecule ID: mol25359
SMILES: Cn1nnnc1N[N+](=O)[O-]
InChI: InChI=1S/C2H4N6O2/c1-7-2(3-5-6-7)4-8(9)10/h1H3,(H,3,4,6)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -5.83 | AttenGpKa training set | 1 » 0 |
| 0.79 | AttenGpKa training set | 0 » -1 |
| 2.72 | QSARToolbox | 0 » -1 |
| 6.04 | QSARToolbox | 0 » -1 |
| 6.04 | AttenGpKa training set | 0 » -1 |