Molecule ID: mol29736
SMILES: c1ccc(CN(CCN2CCCC2)c2ccccc2)cc1
InChI: InChI=1S/C19H24N2/c1-3-9-18(10-4-1)17-21(19-11-5-2-6-12-19)16-15-20-13-7-8-14-20/h1-6,9-12H,7-8,13-17H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.99 | AttenGpKa training set | 2 » 1 |
| 7.95 | AttenGpKa training set | 1 » 0 |