Molecule ID: mol18132
SMILES: COc1cc(OC)c(-c2ccc(C#CCO)s2)cc1C(=O)NS(=O)(=O)c1ccccc1
InChI: InChI=1S/C22H19NO6S2/c1-28-19-14-20(29-2)18(13-17(19)21-11-10-15(30-21)7-6-12-24)22(25)23-31(26,27)16-8-4-3-5-9-16/h3-5,8-11,13-14,24H,12H2,1-2H3,(H,23,25)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.80 | Baltruschat ChEMBL | 0 » -1 |