Molecule ID: mol14185
SMILES: O=C(O)C(O)Cc1c[nH]cn1
InChI: InChI=1S/C6H8N2O3/c9-5(6(10)11)1-4-2-7-3-8-4/h2-3,5,9H,1H2,(H,7,8)(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.99 | Datawarrior | 1 » 0 |
| 2.99 | OCHEM | 1 » 0 |
| 7.32 | Datawarrior | 0 » -1 |
| 7.32 | OCHEM | 0 » -1 |