Molecule ID: mol9655
SMILES: O=[N+]([O-])c1ccc(O)cc1O
InChI: InChI=1S/C6H5NO4/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,8-9H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.15 | IUPAC digitized pKa | 0 » -1 |
| 6.15 | AttenGpKa training set | 0 » -1 |
| 9.37 | IUPAC digitized pKa | -1 » -2 |
| 9.37 | AttenGpKa training set | -1 » -2 |