Molecule ID: mol20955
SMILES: COC(=O)c1cc(S(N)(=O)=O)ccc1SCCCO
InChI: InChI=1S/C11H15NO5S2/c1-17-11(14)9-7-8(19(12,15)16)3-4-10(9)18-6-2-5-13/h3-4,7,13H,2,5-6H2,1H3,(H2,12,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.30 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 9.30 | Baltruschat ChEMBL | 0 » -1 |