Molecule ID: mol27852
SMILES: O=[N+]([O-])NCN[N+](=O)[O-]
InChI: InChI=1S/CH4N4O4/c6-4(7)2-1-3-5(8)9/h2-3H,1H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.99 | AttenGpKa training set | 0 » -1 |
| 5.00 | QSARToolbox | 0 » -1 |
| 6.60 | QSARToolbox | -1 » -2 |