Molecule ID: mol20149
SMILES: CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(c2cccc(C(C)(C)C)c2)CCC1
InChI: InChI=1S/C26H34F2N2O2/c1-17(31)30-23(13-18-11-21(27)15-22(28)12-18)24(32)16-29-26(9-6-10-26)20-8-5-7-19(14-20)25(2,3)4/h5,7-8,11-12,14-15,23-24,29,32H,6,9-10,13,16H2,1-4H3,(H,30,31)/t23-,24+/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.80 | Baltruschat ChEMBL | 1 » 0 |