Molecule ID: mol16252
SMILES: NC(=O)CCN1CCC[C@H](OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1c1ccccc1
InChI: InChI=1S/C23H24F6N2O2/c24-22(25,26)17-11-15(12-18(13-17)23(27,28)29)14-33-19-7-4-9-31(10-8-20(30)32)21(19)16-5-2-1-3-6-16/h1-3,5-6,11-13,19,21H,4,7-10,14H2,(H2,30,32)/t19-,21-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.50 | Baltruschat ChEMBL | 1 » 0 |