Molecule ID: mol19772
SMILES: CN(C(=O)N1CC(c2cc(F)ccc2F)=C[C@@]1(CO)c1ccccc1)C1CCN(CC2CC2)CC1
InChI: InChI=1S/C28H33F2N3O2/c1-31(24-11-13-32(14-12-24)17-20-7-8-20)27(35)33-18-21(25-15-23(29)9-10-26(25)30)16-28(33,19-34)22-5-3-2-4-6-22/h2-6,9-10,15-16,20,24,34H,7-8,11-14,17-19H2,1H3/t28-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.10 | Baltruschat ChEMBL | 1 » 0 |