Molecule ID: mol24639
SMILES: CC(O)CN1CCN(CC(C)O)C(C)C1
InChI: InChI=1S/C11H24N2O2/c1-9-6-12(7-10(2)14)4-5-13(9)8-11(3)15/h9-11,14-15H,4-8H2,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.63 | AttenGpKa training set | 2 » 1 |
| 8.15 | AttenGpKa training set | 1 » 0 |