Molecule ID: mol13871
SMILES: CCN(CC)[C@H]1CCC[C@@H]1N(C)C
InChI: InChI=1S/C11H24N2/c1-5-13(6-2)11-9-7-8-10(11)12(3)4/h10-11H,5-9H2,1-4H3/t10-,11-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.76 | Datawarrior | 2 » 1 |
| 5.76 | QSARToolbox | 2 » 1 |
| 9.91 | QSARToolbox | 1 » 0 |
| 9.91 | Datawarrior | 1 » 0 |