Molecule ID: mol1230
SMILES: CCN1[C@H](C)[C@@H]1C
InChI: InChI=1S/C6H13N/c1-4-7-5(2)6(7)3/h5-6H,4H2,1-3H3/t5-,6+,7?
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.43 | QSARToolbox | 1 » 0 |
| 8.56 | IUPAC digitized pKa | 1 » 0 |
| 8.56 | OCHEM | 1 » 0 |
| 8.56 | Hunt | 1 » 0 |
| 8.56 | AttenGpKa training set | 1 » 0 |
| 8.57 | Datawarrior | 1 » 0 |