Molecule ID: mol20405
SMILES: CCOc1cc(CN2CCC(Nc3nc4ccccc4o3)CC2)cc(OC2CCOCC2)c1
InChI: InChI=1S/C26H33N3O4/c1-2-31-22-15-19(16-23(17-22)32-21-9-13-30-14-10-21)18-29-11-7-20(8-12-29)27-26-28-24-5-3-4-6-25(24)33-26/h3-6,15-17,20-21H,2,7-14,18H2,1H3,(H,27,28)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.76 | Baltruschat ChEMBL | 1 » 0 |