Molecule ID: mol3228
SMILES: C#CCCN(C)C
InChI: InChI=1S/C6H11N/c1-4-5-6-7(2)3/h1H,5-6H2,2-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.25 | IUPAC digitized pKa | 1 » 0 |
| 8.33 | OCHEM | 1 » 0 |
| 8.33 | Datawarrior | 1 » 0 |
| 8.33 | AttenGpKa training set | 1 » 0 |