Molecule ID: mol20975
SMILES: CC(=O)OCCCS(=O)(=O)c1ccc(S(N)(=O)=O)s1
InChI: InChI=1S/C9H13NO6S3/c1-7(11)16-5-2-6-18(12,13)8-3-4-9(17-8)19(10,14)15/h3-4H,2,5-6H2,1H3,(H2,10,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.05 | Baltruschat ChEMBL | 0 » -1 |