Molecule ID: mol5864
SMILES: CC(C#N)CN
InChI: InChI=1S/C4H8N2/c1-4(2-5)3-6/h4H,2,5H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.75 | IUPAC digitized pKa | 1 » 0 |
| 7.75 | Datawarrior | 1 » 0 |
| 7.75 | OCHEM | 1 » 0 |
| 7.75 | OCHEM | 1 » 0 |
| 7.75 | QSARToolbox | 1 » 0 |