Molecule ID: mol20971
SMILES: CC(=O)OCCCCCc1ccc(S(N)(=O)=O)cc1
InChI: InChI=1S/C13H19NO4S/c1-11(15)18-10-4-2-3-5-12-6-8-13(9-7-12)19(14,16)17/h6-9H,2-5,10H2,1H3,(H2,14,16,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.30 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 10.30 | Baltruschat ChEMBL | 0 » -1 |