Molecule ID: mol19773
SMILES: CN1CCC(N(C)C(=O)N2CC(c3cc(F)ccc3F)=C[C@@]2(CO)c2ccccc2)CC1
InChI: InChI=1S/C25H29F2N3O2/c1-28-12-10-21(11-13-28)29(2)24(32)30-16-18(22-14-20(26)8-9-23(22)27)15-25(30,17-31)19-6-4-3-5-7-19/h3-9,14-15,21,31H,10-13,16-17H2,1-2H3/t25-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.80 | Baltruschat ChEMBL | 1 » 0 |