Molecule ID: mol8254
SMILES: Cc1nc2nc(N)nc(O)c2[nH]1
InChI: InChI=1S/C6H7N5O/c1-2-8-3-4(9-2)10-6(7)11-5(3)12/h1H3,(H4,7,8,9,10,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.03 | IUPAC digitized pKa | 1 » 0 |
| 9.70 | IUPAC digitized pKa | 0 » -1 |
| 13.00 | IUPAC digitized pKa | -1 » -2 |