Molecule ID: mol12791
SMILES: Nc1nc2nc[nH]c2c(N)[n+]1[O-]
InChI: InChI=1S/C5H6N6O/c6-3-2-4(9-1-8-2)10-5(7)11(3)12/h1H,6H2,(H3,7,8,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.70 | Datawarrior | 1 » 0 |
| 3.70 | OCHEM | 1 » 0 |
| 9.70 | OCHEM | 0 » -1 |
| 9.70 | Datawarrior | 0 » -1 |
| 12.00 | Datawarrior | 0 » -1 |