Molecule ID: mol6960
SMILES: Cn1nc(O)ccc1=O
InChI: InChI=1S/C5H6N2O2/c1-7-5(9)3-2-4(8)6-7/h2-3H,1H3,(H,6,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -1.32 | IUPAC digitized pKa | 1 » 0 |
| 5.46 | IUPAC digitized pKa | 0 » -1 |
| 5.65 | Datawarrior | 0 » -1 |
| 5.65 | OCHEM | 0 » -1 |