Molecule ID: mol3719
SMILES: OCc1ncccc1O
InChI: InChI=1S/C6H7NO2/c8-4-5-6(9)2-1-3-7-5/h1-3,8-9H,4H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.00 | IUPAC digitized pKa | 1 » 0 |
| 5.00 | OCHEM | 1 » 0 |
| 5.00 | QSARToolbox | 1 » 0 |
| 9.07 | IUPAC digitized pKa | 0 » -1 |
| 9.07 | OCHEM | 0 » -1 |
| 9.70 | QSARToolbox | 0 » -1 |