Molecule ID: mol19614
SMILES: COc1ccc(S(=O)(=O)c2ccc(F)cc2)c(Cc2c3c(n(CC(=O)O)c2C)CCNC3=O)c1
InChI: InChI=1S/C24H23FN2O6S/c1-14-19(23-20(9-10-26-24(23)30)27(14)13-22(28)29)12-15-11-17(33-2)5-8-21(15)34(31,32)18-6-3-16(25)4-7-18/h3-8,11H,9-10,12-13H2,1-2H3,(H,26,30)(H,28,29)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.10 | Baltruschat ChEMBL | 0 » -1 |