Molecule ID: mol10119
SMILES: Nc1cc(C(=O)O)cc([N+](=O)[O-])c1
InChI: InChI=1S/C7H6N2O4/c8-5-1-4(7(10)11)2-6(3-5)9(12)13/h1-3H,8H2,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.55 | IUPAC digitized pKa | 1 » 0 |
| 3.55 | IUPAC digitized pKa | 0 » -1 |
| 3.68 | AttenGpKa training set | 0 » -1 |