Molecule ID: mol21169
SMILES: NS(=O)(=O)c1cc(S(=O)(=O)c2cccc(O)c2)cs1
InChI: InChI=1S/C10H9NO5S3/c11-19(15,16)10-5-9(6-17-10)18(13,14)8-3-1-2-7(12)4-8/h1-6,12H,(H2,11,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.93 | Baltruschat ChEMBL | 0 » -1 |
| 9.35 | Baltruschat ChEMBL | -1 » -2 |