Molecule ID: mol3202
SMILES: C#CCN(C)C
InChI: InChI=1S/C5H9N/c1-4-5-6(2)3/h1H,5H2,2-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.97 | IUPAC digitized pKa | 1 » 0 |
| 7.05 | Datawarrior | 1 » 0 |
| 7.05 | AttenGpKa training set | 1 » 0 |
| 7.05 | OCHEM | 1 » 0 |
| 7.21 | QSARToolbox | 1 » 0 |
| 7.27 | QSARToolbox | 1 » 0 |
| 7.45 | IUPAC digitized pKa | 1 » 0 |