Molecule ID: mol3720
SMILES: OCc1ccncc1O
InChI: InChI=1S/C6H7NO2/c8-4-5-1-2-7-3-6(5)9/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 |
| 8.95 | QSARToolbox | 0 » -1 |
| 8.95 | IUPAC digitized pKa | 0 » -1 |