Molecule ID: mol3294
SMILES: N[C@@H]1CCCC[C@@H]1N
InChI: InChI=1S/C6H14N2/c7-5-3-1-2-4-6(5)8/h5-6H,1-4,7-8H2/t5-,6+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.07 | AttenGpKa training set | 2 » 1 |
| 6.35 | Datawarrior | 2 » 1 |
| 9.80 | AttenGpKa training set | 2 » 1 |
| 9.84 | Datawarrior | 2 » 1 |
| 9.84 | OCHEM | 2 » 1 |
| 9.84 | OCHEM | 2 » 1 |