Molecule ID: mol8191
SMILES: CCN1CC=Nc2c(O)nc(O)nc21
InChI: InChI=1S/C8H10N4O2/c1-2-12-4-3-9-5-6(12)10-8(14)11-7(5)13/h3H,2,4H2,1H3,(H2,10,11,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -0.10 | IUPAC digitized pKa | 2 » 1 |
| 10.15 | IUPAC digitized pKa | -1 » -2 |