Molecule ID: mol19181
SMILES: CC(C)N1CCC(Oc2ccc3c(c2)cc(C(=O)N2CCS(=O)(=O)CC2)n3CC(F)(F)F)CC1
InChI: InChI=1S/C23H30F3N3O4S/c1-16(2)27-7-5-18(6-8-27)33-19-3-4-20-17(13-19)14-21(29(20)15-23(24,25)26)22(30)28-9-11-34(31,32)12-10-28/h3-4,13-14,16,18H,5-12,15H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.60 | Baltruschat ChEMBL | 1 » 0 |