Molecule ID: mol17162
SMILES: O=c1c2ccccc2n(CCCN2CCN(CCO)CC2)c2ccc(Cl)cc12
InChI: InChI=1S/C22H26ClN3O2/c23-17-6-7-21-19(16-17)22(28)18-4-1-2-5-20(18)26(21)9-3-8-24-10-12-25(13-11-24)14-15-27/h1-2,4-7,16,27H,3,8-15H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.26 | OCHEM | 2 » 1 |
| 5.26 | Baltruschat ChEMBL | 2 » 1 |