Molecule ID: mol819
SMILES: Cc1ccc(S(=O)(=O)Nc2ccccc2)cc1
InChI: InChI=1S/C13H13NO2S/c1-11-7-9-13(10-8-11)17(15,16)14-12-5-3-2-4-6-12/h2-10,14H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.46 | IUPAC digitized pKa | 0 » -1 |
| 8.46 | Datawarrior | 0 » -1 |
| 8.46 | OCHEM | 0 » -1 |
| 8.46 | OCHEM | 0 » -1 |
| 8.46 | Hunt | 0 » -1 |
| 8.46 | AttenGpKa training set | 0 » -1 |
| 8.46 | QSARToolbox | 0 » -1 |
| 9.35 | OCHEM | 0 » -1 |
| 9.35 | OCHEM | 0 » -1 |
| 9.35 | Baltruschat ChEMBL | 0 » -1 |