Molecule ID: mol18129
SMILES: COc1cc(C)c(C(=O)NS(C)(=O)=O)cc1-c1ccc(C#CCO)s1
InChI: InChI=1S/C17H17NO5S2/c1-11-9-15(23-2)14(10-13(11)17(20)18-25(3,21)22)16-7-6-12(24-16)5-4-8-19/h6-7,9-10,19H,8H2,1-3H3,(H,18,20)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.00 | Baltruschat ChEMBL | 0 » -1 |