Molecule ID: mol20973
SMILES: CC(C)(O)CCSc1ccc(S(N)(=O)=O)cc1
InChI: InChI=1S/C11H17NO3S2/c1-11(2,13)7-8-16-9-3-5-10(6-4-9)17(12,14)15/h3-6,13H,7-8H2,1-2H3,(H2,12,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.00 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 10.00 | Baltruschat ChEMBL | 0 » -1 |