Molecule ID: mol6466
SMILES: Oc1cccc(O)n1
InChI: InChI=1S/C5H5NO2/c7-4-2-1-3-5(8)6-4/h1-3H,(H2,6,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.00 | QSARToolbox | 1 » 0 |
| 4.19 | IUPAC digitized pKa | 0 » -1 |
| 4.40 | AttenGpKa training set | 0 » -1 |
| 4.52 | QSARToolbox | 0 » -1 |
| 15.00 | QSARToolbox | -1 » -2 |