Molecule ID: mol20954
SMILES: NS(=O)(=O)c1ccc(S(=O)(=O)CCCCO)s1
InChI: InChI=1S/C8H13NO5S3/c9-17(13,14)8-4-3-7(15-8)16(11,12)6-2-1-5-10/h3-4,10H,1-2,5-6H2,(H2,9,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.67 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 8.67 | Baltruschat ChEMBL | 0 » -1 |