Molecule ID: mol17156
SMILES: CN1CCN(CCCCn2c3ccccc3c(=O)c3cc(Cl)ccc32)CC1
InChI: InChI=1S/C22H26ClN3O/c1-24-12-14-25(15-13-24)10-4-5-11-26-20-7-3-2-6-18(20)22(27)19-16-17(23)8-9-21(19)26/h2-3,6-9,16H,4-5,10-15H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.61 | OCHEM | 2 » 1 |
| 5.61 | Baltruschat ChEMBL | 2 » 1 |