Molecule ID: mol20396
SMILES: CCCCCS(=O)(=O)NC(=O)OCCCc1ccc(OCCOC)cc1Oc1ncc(C(F)(F)F)cc1Cl
InChI: InChI=1S/C24H30ClF3N2O7S/c1-3-4-5-13-38(32,33)30-23(31)36-10-6-7-17-8-9-19(35-12-11-34-2)15-21(17)37-22-20(25)14-18(16-29-22)24(26,27)28/h8-9,14-16H,3-7,10-13H2,1-2H3,(H,30,31)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.60 | Baltruschat ChEMBL | 0 » -1 |