Molecule ID: mol4098
SMILES: CNc1nccc(N)n1
InChI: InChI=1S/C5H8N4/c1-7-5-8-3-2-4(6)9-5/h2-3H,1H3,(H3,6,7,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.53 | IUPAC digitized pKa | 1 » 0 |
| 7.53 | AttenGpKa training set | 1 » 0 |
| 7.54 | AttenGpKa training set | 1 » 0 |