Molecule ID: mol24301
SMILES: NCc1cc([N+](=O)[O-])ccc1[N+](=O)[O-]
InChI: InChI=1S/C7H7N3O4/c8-4-5-3-6(9(11)12)1-2-7(5)10(13)14/h1-3H,4,8H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.73 | AttenGpKa training set | 1 » 0 |
| 7.73 | QSARToolbox | 1 » 0 |