Molecule ID: mol10566
SMILES: CC(=O)c1cccc([N+](=O)[O-])c1O
InChI: InChI=1S/C8H7NO4/c1-5(10)6-3-2-4-7(8(6)11)9(12)13/h2-4,11H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.59 | IUPAC digitized pKa | 0 » -1 |
| 6.78 | IUPAC digitized pKa | 0 » -1 |
| 6.78 | AttenGpKa training set | 0 » -1 |