Molecule ID: mol3066
SMILES: N#CCN
InChI: InChI=1S/C2H4N2/c3-1-2-4/h1,3H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.16 | QSARToolbox | 1 » 0 |
| 5.30 | IUPAC digitized pKa | 1 » 0 |
| 5.30 | QSARToolbox | 1 » 0 |
| 5.34 | IUPAC digitized pKa | 1 » 0 |
| 5.34 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 5.34 | OCHEM | 1 » 0 |
| 5.34 | OCHEM | 1 » 0 |
| 5.34 | AttenGpKa training set | 1 » 0 |
| 5.34 | QSARToolbox | 1 » 0 |
| 5.34 | QSARToolbox | 1 » 0 |
| 5.34 | QSARToolbox | 1 » 0 |
| 5.37 | OCHEM | 1 » 0 |
| 5.37 | Datawarrior | 1 » 0 |