Molecule ID: mol31621
SMILES: O=[N+]([O-])c1ccc(/C=N/O)c([N+](=O)[O-])c1
InChI: InChI=1S/C7H5N3O5/c11-8-4-5-1-2-6(9(12)13)3-7(5)10(14)15/h1-4,11H/b8-4+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.43 | AttenGpKa training set | 0 » -1 |
| 9.43 | QSARToolbox | 0 » -1 |