Molecule ID: mol3555
SMILES: C[C@@H]1N[C@@H]1C
InChI: InChI=1S/C4H9N/c1-3-4(2)5-3/h3-5H,1-2H3/t3-,4+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.34 | Datawarrior | 1 » 0 |
| 5.34 | QSARToolbox | 1 » 0 |
| 8.72 | IUPAC digitized pKa | 1 » 0 |
| 8.72 | AttenGpKa training set | 1 » 0 |