Molecule ID: mol14319
SMILES: Cc1ccc(S(=O)(=O)NCC(=O)O)cc1
InChI: InChI=1S/C9H11NO4S/c1-7-2-4-8(5-3-7)15(13,14)10-6-9(11)12/h2-5,10H,6H2,1H3,(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.52 | AttenGpKa training set | 0 » -1 |
| 11.40 | QSARToolbox | -1 » -2 |
| 11.40 | Datawarrior | -1 » -2 |
| 11.40 | OCHEM | -1 » -2 |