Molecule ID: mol18131
SMILES: COc1cc(C)c(C(=O)NS(=O)(=O)c2ccccc2)cc1-c1ccc(C#CCO)s1
InChI: InChI=1S/C22H19NO5S2/c1-15-13-20(28-2)19(21-11-10-16(29-21)7-6-12-24)14-18(15)22(25)23-30(26,27)17-8-4-3-5-9-17/h3-5,8-11,13-14,24H,12H2,1-2H3,(H,23,25)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.80 | Baltruschat ChEMBL | 0 » -1 |