Molecule ID: mol12846
SMILES: Cn1c(N)nc2nc[nH]c2c1=O
InChI: InChI=1S/C6H7N5O/c1-11-5(12)3-4(9-2-8-3)10-6(11)7/h2H,1H3,(H2,7,10)(H,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.20 | Datawarrior | 1 » 0 |
| 3.20 | OCHEM | 1 » 0 |
| 10.43 | Datawarrior | 0 » -1 |
| 10.43 | OCHEM | 0 » -1 |