Molecule ID: mol20548
SMILES: Nc1ccc(C(=O)O)cc1[N+](=O)[O-]
InChI: InChI=1S/C7H6N2O4/c8-5-2-1-4(7(10)11)3-6(5)9(12)13/h1-3H,8H2,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -2.67 | AttenGpKa training set | 1 » 0 |
| 3.96 | OCHEM | 0 » -1 |
| 3.96 | Baltruschat ChEMBL | 0 » -1 |
| 4.08 | AttenGpKa training set | 0 » -1 |