Molecule ID: mol8057
SMILES: CC1=Nc2c(O)nc(N)nc2NC1
InChI: InChI=1S/C7H9N5O/c1-3-2-9-5-4(10-3)6(13)12-7(8)11-5/h2H2,1H3,(H4,8,9,11,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.20 | IUPAC digitized pKa | 1 » 0 |
| 4.17 | IUPAC digitized pKa | 1 » 0 |
| 10.60 | IUPAC digitized pKa | -1 » -2 |
| 10.85 | IUPAC digitized pKa | -1 » -2 |