Molecule ID: mol2248
SMILES: Cc1nc2ccncc2nc1O
InChI: InChI=1S/C8H7N3O/c1-5-8(12)11-7-4-9-3-2-6(7)10-5/h2-4H,1H3,(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.56 | QSARToolbox | 1 » 0 |
| 4.57 | IUPAC digitized pKa | 1 » 0 |
| 4.57 | QSARToolbox | 1 » 0 |
| 8.33 | QSARToolbox | 0 » -1 |
| 8.33 | IUPAC digitized pKa | 0 » -1 |
| 8.33 | Hunt | 0 » -1 |