Molecule ID: mol6053
SMILES: CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChI: InChI=1S/C7H7N3O4/c1-8-6-3-2-5(9(11)12)4-7(6)10(13)14/h2-4,8H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -4.86 | AttenGpKa training set | 1 » 0 |
| -4.74 | IUPAC digitized pKa | 1 » 0 |