Molecule ID: mol1297
SMILES: [O-][n+]1ccc(O)cc1
InChI: InChI=1S/C5H5NO2/c7-5-1-3-6(8)4-2-5/h1-4,7H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.30 | QSARToolbox | 1 » 0 |
| 2.30 | IUPAC digitized pKa | 1 » 0 |
| 2.45 | IUPAC digitized pKa | 1 » 0 |
| 5.76 | Datawarrior | 0 » -1 |
| 5.76 | Hunt | 0 » -1 |
| 5.76 | OCHEM | 0 » -1 |
| 5.76 | QSARToolbox | 0 » -1 |
| 5.83 | AttenGpKa training set | 0 » -1 |