Molecule ID: mol6028
SMILES: Nc1cc([N+](=O)[O-])ccc1[N+](=O)[O-]
InChI: InChI=1S/C6H5N3O4/c7-5-3-4(8(10)11)1-2-6(5)9(12)13/h1-3H,7H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -2.49 | QSARToolbox | 1 » 0 |
| -2.49 | IUPAC digitized pKa | 1 » 0 |
| -2.49 | OCHEM | 1 » 0 |