Molecule ID: mol18087
SMILES: CC[C@H](NC(=O)c1cc(F)ccc1NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1
InChI: InChI=1S/C22H20ClFN2O3S/c1-2-20(15-6-4-3-5-7-15)25-22(27)19-14-17(24)10-13-21(19)26-30(28,29)18-11-8-16(23)9-12-18/h3-14,20,26H,2H2,1H3,(H,25,27)/t20-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.80 | Baltruschat ChEMBL | 1 » 0 |