Molecule ID: mol18485
SMILES: CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(NC(=O)c2cccc(C)c2NS(=O)(=O)C(F)(F)F)cc1
InChI: InChI=1S/C26H28ClF3N4O5S/c1-4-5-9-21-32-24(27)20(14-22(35)39-3)34(21)15-17-10-12-18(13-11-17)31-25(36)19-8-6-7-16(2)23(19)33-40(37,38)26(28,29)30/h6-8,10-13,33H,4-5,9,14-15H2,1-3H3,(H,31,36)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.50 | Baltruschat ChEMBL | 0 » -1 |