Molecule ID: mol6370
SMILES: Nc1ccnc(O)c1
InChI: InChI=1S/C5H6N2O/c6-4-1-2-7-5(8)3-4/h1-3H,(H3,6,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -5.14 | QSARToolbox | 2 » 1 |
| 2.65 | IUPAC digitized pKa | 1 » 0 |
| 2.65 | QSARToolbox | 1 » 0 |
| 13.54 | QSARToolbox | 0 » -1 |
| 13.54 | OCHEM | 0 » -1 |
| 13.54 | OCHEM | 0 » -1 |