Molecule ID: mol10371
SMILES: COc1ccc(S(N)(=O)=O)cc1
InChI: InChI=1S/C7H9NO3S/c1-11-6-2-4-7(5-3-6)12(8,9)10/h2-5H,1H3,(H2,8,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.93 | Datawarrior | 0 » -1 |
| 9.93 | OCHEM | 0 » -1 |
| 10.01 | AttenGpKa training set | 0 » -1 |
| 10.22 | IUPAC digitized pKa | 0 » -1 |
| 10.22 | QSARToolbox | 0 » -1 |