Molecule ID: mol17539
SMILES: O=C(NCCCCN1CCN(c2cccc(OCCF)c2)CC1)c1ccc2nonc2c1
InChI: InChI=1S/C23H28FN5O3/c24-8-15-31-20-5-3-4-19(17-20)29-13-11-28(12-14-29)10-2-1-9-25-23(30)18-6-7-21-22(16-18)27-32-26-21/h3-7,16-17H,1-2,8-15H2,(H,25,30)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.47 | Baltruschat ChEMBL | 1 » 0 |