Molecule ID: mol13606
SMILES: O=C(O)c1cnccn1
InChI: InChI=1S/C5H4N2O2/c8-5(9)4-3-6-1-2-7-4/h1-3H,(H,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -0.70 | Datawarrior | 1 » 0 |
| -0.70 | OCHEM | 1 » 0 |
| 2.70 | Datawarrior | 0 » -1 |
| 2.70 | OCHEM | 0 » -1 |
| 2.90 | Baltruschat ChEMBL | 0 » -1 |