Molecule ID: mol8253
SMILES: Cn1cnc2nc(N)nc(O)c21
InChI: InChI=1S/C6H7N5O/c1-11-2-8-4-3(11)5(12)10-6(7)9-4/h2H,1H3,(H3,7,9,10,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.50 | IUPAC digitized pKa | 1 » 0 |
| 3.57 | OCHEM | 1 » 0 |
| 3.57 | Datawarrior | 1 » 0 |
| 3.64 | QSARToolbox | 1 » 0 |
| 8.43 | Datawarrior | 0 » -1 |
| 8.43 | OCHEM | 0 » -1 |
| 9.95 | IUPAC digitized pKa | 0 » -1 |