Molecule ID: mol7301
SMILES: COc1cc(N)nc(N)n1
InChI: InChI=1S/C5H8N4O/c1-10-4-2-3(6)8-5(7)9-4/h2H,1H3,(H4,6,7,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.48 | IUPAC digitized pKa | 1 » 0 |
| 5.48 | OCHEM | 1 » 0 |
| 5.48 | AttenGpKa training set | 1 » 0 |