Molecule ID: mol5865
SMILES: CC(N)CC#N
InChI: InChI=1S/C4H8N2/c1-4(6)2-3-5/h4H,2,6H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.85 | OCHEM | 1 » 0 |
| 7.85 | QSARToolbox | 1 » 0 |
| 7.85 | IUPAC digitized pKa | 1 » 0 |
| 7.85 | Datawarrior | 1 » 0 |
| 7.85 | OCHEM | 1 » 0 |