Molecule ID: mol3158
SMILES: CC(C)(N)C#N
InChI: InChI=1S/C4H8N2/c1-4(2,6)3-5/h6H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.30 | IUPAC digitized pKa | 1 » 0 |
| 5.30 | Datawarrior | 1 » 0 |
| 5.30 | OCHEM | 1 » 0 |
| 5.30 | AttenGpKa training set | 1 » 0 |
| 5.30 | QSARToolbox | 1 » 0 |
| 5.30 | QSARToolbox | 1 » 0 |
| 5.30 | OCHEM | 1 » 0 |