Molecule ID: mol7300
SMILES: COc1cnc(N)nc1N
InChI: InChI=1S/C5H8N4O/c1-10-3-2-8-5(7)9-4(3)6/h2H,1H3,(H4,6,7,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.23 | IUPAC digitized pKa | 1 » 0 |
| 7.23 | OCHEM | 1 » 0 |
| 7.23 | AttenGpKa training set | 1 » 0 |
| 7.23 | QSARToolbox | 1 » 0 |