Molecule ID: mol1620
SMILES: Cc1cncnc1O
InChI: InChI=1S/C5H6N2O/c1-4-2-6-3-7-5(4)8/h2-3H,1H3,(H,6,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.29 | QSARToolbox | 1 » 0 |
| 2.29 | IUPAC digitized pKa | 1 » 0 |
| 8.87 | OCHEM | 0 » -1 |
| 8.87 | OCHEM | 0 » -1 |
| 9.17 | IUPAC digitized pKa | 0 » -1 |
| 9.17 | OCHEM | 0 » -1 |
| 9.17 | Hunt | 0 » -1 |
| 9.17 | QSARToolbox | 0 » -1 |