Molecule ID: mol8251
SMILES: Cc1nc2c(O)nc(N)nc2n1C
InChI: InChI=1S/C7H9N5O/c1-3-9-4-5(12(3)2)10-7(8)11-6(4)13/h1-2H3,(H3,8,10,11,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -1.82 | IUPAC digitized pKa | 2 » 1 |
| 4.11 | IUPAC digitized pKa | 1 » 0 |
| 9.95 | IUPAC digitized pKa | 0 » -1 |