Molecule ID: mol905
SMILES: C#CCN
InChI: InChI=1S/C3H5N/c1-2-3-4/h1H,3-4H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.87 | QSARToolbox | 1 » 0 |
| 8.15 | IUPAC digitized pKa | 1 » 0 |
| 8.15 | IUPAC digitized pKa | 1 » 0 |
| 8.15 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 8.15 | OCHEM | 1 » 0 |
| 8.15 | Hunt | 1 » 0 |
| 8.15 | AttenGpKa training set | 1 » 0 |
| 8.19 | OCHEM | 1 » 0 |
| 8.19 | Datawarrior | 1 » 0 |
| 8.26 | QSARToolbox | 1 » 0 |