Molecule ID: mol16302
SMILES: COc1ccccc1CN[C@H]1CCCN[C@H]1c1ccccc1
InChI: InChI=1S/C19H24N2O/c1-22-18-12-6-5-10-16(18)14-21-17-11-7-13-20-19(17)15-8-3-2-4-9-15/h2-6,8-10,12,17,19-21H,7,11,13-14H2,1H3/t17-,19-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.00 | Baltruschat ChEMBL | 2 » 1 |
| 8.70 | Baltruschat ChEMBL | 1 » 0 |