Molecule ID: mol18487
SMILES: CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(NC(=O)c2ccccc2NS(=O)(=O)C(F)(F)F)cc1
InChI: InChI=1S/C25H26ClF3N4O5S/c1-3-4-9-21-31-23(26)20(14-22(34)38-2)33(21)15-16-10-12-17(13-11-16)30-24(35)18-7-5-6-8-19(18)32-39(36,37)25(27,28)29/h5-8,10-13,32H,3-4,9,14-15H2,1-2H3,(H,30,35)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.50 | Baltruschat ChEMBL | 0 » -1 |