Molecule ID: mol9654
SMILES: O=[N+]([O-])c1c(O)cccc1O
InChI: InChI=1S/C6H5NO4/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3,8-9H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.37 | IUPAC digitized pKa | 0 » -1 |
| 6.37 | AttenGpKa training set | 0 » -1 |
| 9.46 | IUPAC digitized pKa | -1 » -2 |
| 9.46 | AttenGpKa training set | -1 » -2 |