Molecule ID: mol6369
SMILES: Nc1cccnc1O
InChI: InChI=1S/C5H6N2O/c6-4-2-1-3-7-5(4)8/h1-3H,6H2,(H,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -3.60 | QSARToolbox | 2 » 1 |
| 2.78 | QSARToolbox | 1 » 0 |
| 2.78 | IUPAC digitized pKa | 1 » 0 |
| 12.57 | QSARToolbox | 0 » -1 |
| 12.57 | IUPAC digitized pKa | 0 » -1 |
| 12.57 | OCHEM | 0 » -1 |
| 12.57 | OCHEM | 0 » -1 |