Molecule ID: mol1344
SMILES: O=C(O)c1ncccn1
InChI: InChI=1S/C5H4N2O2/c8-5(9)4-6-2-1-3-7-4/h1-3H,(H,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -1.13 | IUPAC digitized pKa | 1 » 0 |
| -1.13 | Datawarrior | 1 » 0 |
| -1.13 | OCHEM | 1 » 0 |
| -1.13 | AttenGpKa training set | 1 » 0 |
| 2.50 | OCHEM | 0 » -1 |
| 2.50 | OCHEM | 0 » -1 |
| 2.85 | OCHEM | 0 » -1 |
| 2.85 | IUPAC digitized pKa | 0 » -1 |
| 2.85 | Datawarrior | 0 » -1 |
| 2.85 | Hunt | 0 » -1 |
| 2.85 | AttenGpKa training set | 0 » -1 |