Molecule ID: mol17506
SMILES: O=C(NC1CCN(CCc2c[nH]c3ccccc23)CC1)c1ccccc1
InChI: InChI=1S/C22H25N3O/c26-22(17-6-2-1-3-7-17)24-19-11-14-25(15-12-19)13-10-18-16-23-21-9-5-4-8-20(18)21/h1-9,16,19,23H,10-15H2,(H,24,26)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.70 | Baltruschat ChEMBL | 1 » 0 |
| 7.70 | AttenGpKa training set | 1 » 0 |