Molecule ID: mol7304
SMILES: Cc1cnc(N)nc1N
InChI: InChI=1S/C5H8N4/c1-3-2-8-5(7)9-4(3)6/h2H,1H3,(H4,6,7,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.69 | IUPAC digitized pKa | 1 » 0 |
| 7.69 | OCHEM | 1 » 0 |
| 7.69 | AttenGpKa training set | 1 » 0 |
| 7.69 | QSARToolbox | 1 » 0 |