Molecule ID: mol14459
SMILES: Cc1ccc(S(=O)(=O)NCCC(=O)O)cc1
InChI: InChI=1S/C10H13NO4S/c1-8-2-4-9(5-3-8)16(14,15)11-7-6-10(12)13/h2-5,11H,6-7H2,1H3,(H,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 11.20 | QSARToolbox | -1 » -2 |
| 11.20 | Datawarrior | -1 » -2 |
| 11.20 | OCHEM | -1 » -2 |