Molecule ID: mol9147
SMILES: O=c1cc(O)[nH]c(=O)[nH]1
InChI: InChI=1S/C4H4N2O3/c7-2-1-3(8)6-4(9)5-2/h1H,(H3,5,6,7,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.90 | AttenGpKa training set | 0 » -1 |
| 4.02 | IUPAC digitized pKa | 0 » -1 |
| 4.98 | AttenGpKa training set | 0 » -1 |
| 12.50 | AttenGpKa training set | -1 » -2 |