Molecule ID: mol16080
SMILES: O=C1NCC(c2ccccc2)C12CCN(C1CCCCC1(O)c1ccc(F)cc1)CC2
InChI: InChI=1S/C26H31FN2O2/c27-21-11-9-20(10-12-21)26(31)13-5-4-8-23(26)29-16-14-25(15-17-29)22(18-28-24(25)30)19-6-2-1-3-7-19/h1-3,6-7,9-12,22-23,31H,4-5,8,13-18H2,(H,28,30)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.54 | Baltruschat ChEMBL | 1 » 0 |