Molecule ID: mol19179
SMILES: CC(C)N1CCC(Oc2ccc3c(c2)cc(C(=O)N2CCC(F)(F)CC2)n3S(C)(=O)=O)CC1
InChI: InChI=1S/C23H31F2N3O4S/c1-16(2)26-10-6-18(7-11-26)32-19-4-5-20-17(14-19)15-21(28(20)33(3,30)31)22(29)27-12-8-23(24,25)9-13-27/h4-5,14-16,18H,6-13H2,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.60 | Baltruschat ChEMBL | 1 » 0 |