Molecule ID: mol14138
SMILES: NC(Cc1nc[nH]n1)C(=O)O
InChI: InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.10 | OCHEM | 2 » 1 |
| 2.10 | Datawarrior | 2 » 1 |
| 8.40 | Datawarrior | 0 » -1 |
| 10.70 | Datawarrior | -1 » -2 |
| 10.70 | OCHEM | -1 » -2 |