Molecule ID: mol4822
SMILES: CNc1nc(O)c2nccnc2n1
InChI: InChI=1S/C7H7N5O/c1-8-7-11-5-4(6(13)12-7)9-2-3-10-5/h2-3H,1H3,(H2,8,10,11,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.95 | IUPAC digitized pKa | 1 » 0 |
| 1.95 | IUPAC digitized pKa | 1 » 0 |
| 1.96 | IUPAC digitized pKa | 1 » 0 |
| 7.95 | IUPAC digitized pKa | 0 » -1 |
| 7.95 | IUPAC digitized pKa | 0 » -1 |
| 8.18 | IUPAC digitized pKa | 0 » -1 |