Molecule ID: mol4199
SMILES: CNc1ccnc(O)n1
InChI: InChI=1S/C5H7N3O/c1-6-4-2-3-7-5(9)8-4/h2-3H,1H3,(H2,6,7,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.40 | IUPAC digitized pKa | 1 » 0 |
| 4.53 | IUPAC digitized pKa | 1 » 0 |
| 4.55 | Datawarrior | 1 » 0 |
| 4.55 | OCHEM | 1 » 0 |
| 12.70 | IUPAC digitized pKa | 0 » -1 |