Molecule ID: mol3557
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-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.41 | Datawarrior | 1 » 0 |
| 9.47 | IUPAC digitized pKa | 1 » 0 |
| 9.74 | AttenGpKa training set | 1 » 0 |