Molecule ID: mol18134
SMILES: COc1cccc(S(=O)(=O)NC(=O)c2cc(-c3ccc(C#CCO)s3)c(Cl)cc2OC)c1
InChI: InChI=1S/C22H18ClNO6S2/c1-29-14-5-3-7-16(11-14)32(27,28)24-22(26)18-12-17(19(23)13-20(18)30-2)21-9-8-15(31-21)6-4-10-25/h3,5,7-9,11-13,25H,10H2,1-2H3,(H,24,26)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.80 | Baltruschat ChEMBL | 0 » -1 |