Molecule ID: mol8881
SMILES: C#CCNN
InChI: InChI=1S/C3H6N2/c1-2-3-5-4/h1,5H,3-4H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.46 | IUPAC digitized pKa | 1 » 0 |
| 5.46 | Datawarrior | 1 » 0 |
| 5.46 | OCHEM | 1 » 0 |
| 5.46 | AttenGpKa training set | 1 » 0 |
| 5.46 | QSARToolbox | 1 » 0 |