Molecule ID: mol6371
SMILES: Nc1ccc(O)nc1
InChI: InChI=1S/C5H6N2O/c6-4-1-2-5(8)7-3-4/h1-3H,6H2,(H,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -0.61 | QSARToolbox | 2 » 1 |
| -0.61 | IUPAC digitized pKa | 2 » 1 |
| 3.77 | QSARToolbox | 1 » 0 |
| 3.77 | IUPAC digitized pKa | 1 » 0 |
| 11.65 | QSARToolbox | 0 » -1 |
| 11.65 | IUPAC digitized pKa | 0 » -1 |
| 11.65 | OCHEM | 0 » -1 |
| 11.65 | OCHEM | 0 » -1 |