Molecule ID: mol18482
SMILES: CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(NC(=O)c2cc(I)ccc2NS(=O)(=O)C(F)(F)F)cc1
InChI: InChI=1S/C25H25ClF3IN4O5S/c1-3-4-5-21-32-23(26)20(13-22(35)39-2)34(21)14-15-6-9-17(10-7-15)31-24(36)18-12-16(30)8-11-19(18)33-40(37,38)25(27,28)29/h6-12,33H,3-5,13-14H2,1-2H3,(H,31,36)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.50 | Baltruschat ChEMBL | 0 » -1 |