Molecule ID: mol16081
SMILES: O=C1NCC(c2ccc(F)cc2)C12CCN(C1CCCCC1(O)c1ccccc1)CC2
InChI: InChI=1S/C26H31FN2O2/c27-21-11-9-19(10-12-21)22-18-28-24(30)25(22)14-16-29(17-15-25)23-8-4-5-13-26(23,31)20-6-2-1-3-7-20/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 |
|---|---|---|
| 6.89 | Baltruschat ChEMBL | 1 » 0 |