Molecule ID: mol13090
SMILES: Cc1nc(N[N+](=O)[O-])n[nH]1
InChI: InChI=1S/C3H5N5O2/c1-2-4-3(6-5-2)7-8(9)10/h1H3,(H2,4,5,6,7)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.30 | AttenGpKa training set | 0 » -1 |
| 4.75 | QSARToolbox | 0 » -1 |
| 4.75 | AttenGpKa training set | 0 » -1 |
| 4.77 | Datawarrior | 0 » -1 |
| 4.77 | OCHEM | 0 » -1 |
| 11.30 | QSARToolbox | -1 » -2 |