Molecule ID: mol2521
SMILES: Cn1ccnc1C(=O)O
InChI: InChI=1S/C5H6N2O2/c1-7-3-2-6-4(7)5(8)9/h2-3H,1H3,(H,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.53 | IUPAC digitized pKa | 1 » 0 |
| 1.53 | Hunt | 1 » 0 |
| 7.25 | IUPAC digitized pKa | 0 » -1 |
| 7.25 | Hunt | 0 » -1 |