Molecule ID: mol821
SMILES: COc1ccc(S(=O)(=O)Nc2ccccc2)cc1
InChI: InChI=1S/C13H13NO3S/c1-17-12-7-9-13(10-8-12)18(15,16)14-11-5-3-2-4-6-11/h2-10,14H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.66 | OCHEM | 0 » -1 |
| 8.66 | QSARToolbox | 0 » -1 |
| 8.66 | IUPAC digitized pKa | 0 » -1 |
| 8.66 | Datawarrior | 0 » -1 |
| 8.66 | OCHEM | 0 » -1 |
| 8.66 | Hunt | 0 » -1 |
| 8.66 | AttenGpKa training set | 0 » -1 |
| 9.42 | OCHEM | 0 » -1 |
| 9.42 | OCHEM | 0 » -1 |
| 9.42 | Baltruschat ChEMBL | 0 » -1 |