Molecule ID: mol23945
SMILES: CCN(CC)c1ccc(N(CC)CC)cc1
InChI: InChI=1S/C14H24N2/c1-5-15(6-2)13-9-11-14(12-10-13)16(7-3)8-4/h9-12H,5-8H2,1-4H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.75 | AttenGpKa training set | 2 » 1 |
| 8.28 | AttenGpKa training set | 1 » 0 |