Molecule ID: mol19769
SMILES: CN(C(=O)N1CC(c2cc(F)ccc2F)=C[C@@]1(CO)c1ccccc1)C1CCN(CC(F)F)CC1
InChI: InChI=1S/C26H29F4N3O2/c1-31(21-9-11-32(12-10-21)16-24(29)30)25(35)33-15-18(22-13-20(27)7-8-23(22)28)14-26(33,17-34)19-5-3-2-4-6-19/h2-8,13-14,21,24,34H,9-12,15-17H2,1H3/t26-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.90 | Baltruschat ChEMBL | 1 » 0 |