Molecule ID: mol36094
SMILES: O=C(O)CCC(NS(=O)(=O)c1ccccc1)C(=O)O
InChI: InChI=1S/C11H13NO6S/c13-10(14)7-6-9(11(15)16)12-19(17,18)8-4-2-1-3-5-8/h1-5,9,12H,6-7H2,(H,13,14)(H,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.02 | QSARToolbox | 0 » -1 |