Molecule ID: mol6465
SMILES: Oc1cccnc1O
InChI: InChI=1S/C5H5NO2/c7-4-2-1-3-6-5(4)8/h1-3,7H,(H,6,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.22 | QSARToolbox | 1 » 0 |
| 8.62 | IUPAC digitized pKa | 0 » -1 |
| 9.00 | QSARToolbox | 0 » -1 |
| 9.26 | QSARToolbox | 0 » -1 |
| 9.26 | QSARToolbox | 0 » -1 |
| 11.72 | QSARToolbox | -1 » -2 |