Molecule ID: mol8147
SMILES: CN1CC=Nc2c(O)nc(O)nc21
InChI: InChI=1S/C7H8N4O2/c1-11-3-2-8-4-5(11)9-7(13)10-6(4)12/h2H,3H2,1H3,(H2,9,10,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -0.10 | IUPAC digitized pKa | 2 » 1 |
| 9.89 | IUPAC digitized pKa | -1 » -2 |