Molecule ID: mol24300
SMILES: NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChI: InChI=1S/C7H7N3O4/c8-4-5-1-2-6(9(11)12)3-7(5)10(13)14/h1-3H,4,8H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.70 | QSARToolbox | 1 » 0 |
| 7.70 | OCHEM | 1 » 0 |
| 7.70 | AttenGpKa training set | 1 » 0 |