Molecule ID: mol9656
SMILES: O=[N+]([O-])c1cc(O)cc(O)c1
InChI: InChI=1S/C6H5NO4/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,8-9H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.59 | IUPAC digitized pKa | 0 » -1 |
| 6.59 | AttenGpKa training set | 0 » -1 |
| 9.24 | IUPAC digitized pKa | -1 » -2 |
| 9.24 | AttenGpKa training set | -1 » -2 |