Molecule ID: mol9362
SMILES: O=c1cc(O)cc(O)[nH]1
InChI: InChI=1S/C5H5NO3/c7-3-1-4(8)6-5(9)2-3/h1-2H,(H3,6,7,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.60 | QSARToolbox | 0 » -1 |
| 4.60 | IUPAC digitized pKa | 0 » -1 |
| 4.60 | AttenGpKa training set | 0 » -1 |
| 9.00 | IUPAC digitized pKa | -1 » -2 |
| 9.00 | QSARToolbox | -1 » -2 |
| 9.00 | AttenGpKa training set | -1 » -2 |
| 13.00 | AttenGpKa training set | -2 » -3 |