Molecule ID: mol18130
SMILES: COc1cc(C)c(S(=O)(=O)NC(C)=O)cc1-c1ccc(C#CCO)s1
InChI: InChI=1S/C17H17NO5S2/c1-11-9-15(23-3)14(10-17(11)25(21,22)18-12(2)20)16-7-6-13(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 |
|---|---|---|
| 4.80 | Baltruschat ChEMBL | 0 » -1 |