Molecule ID: mol17164
SMILES: CN1CCN(CCCn2c3ccccc3c(=O)c3cc(Cl)ccc32)CC1
InChI: InChI=1S/C21H24ClN3O/c1-23-11-13-24(14-12-23)9-4-10-25-19-6-3-2-5-17(19)21(26)18-15-16(22)7-8-20(18)25/h2-3,5-8,15H,4,9-14H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.28 | OCHEM | 2 » 1 |
| 5.28 | Baltruschat ChEMBL | 2 » 1 |