Molecule ID: mol16110
SMILES: C[C@@H]1CC[C@H]2C(CN3CCN(CCO)CC3)=C(C(F)(F)F)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4
InChI: InChI=1S/C22H33F3N2O5/c1-14-3-4-17-15(13-27-9-7-26(8-10-27)11-12-28)18(22(23,24)25)29-19-21(17)16(14)5-6-20(2,30-19)31-32-21/h14,16-17,19,28H,3-13H2,1-2H3/t14-,16+,17+,19-,20+,21-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.59 | Baltruschat ChEMBL | 1 » 0 |