Molecule ID: mol12001
SMILES: CC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1
InChI: InChI=1S/C14H13NO3S/c1-11(16)12-7-9-13(10-8-12)15-19(17,18)14-5-3-2-4-6-14/h2-10,15H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.94 | IUPAC digitized pKa | 0 » -1 |
| 6.94 | Datawarrior | 0 » -1 |
| 6.94 | AttenGpKa training set | 0 » -1 |
| 6.94 | QSARToolbox | 0 » -1 |
| 6.94 | OCHEM | 0 » -1 |