Molecule ID: mol798
SMILES: O=S(=O)(Nc1ccccc1)c1ccc(Cl)cc1
InChI: InChI=1S/C12H10ClNO2S/c13-10-6-8-12(9-7-10)17(15,16)14-11-4-2-1-3-5-11/h1-9,14H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.98 | IUPAC digitized pKa | 0 » -1 |
| 7.98 | Datawarrior | 0 » -1 |
| 7.98 | OCHEM | 0 » -1 |
| 7.98 | Hunt | 0 » -1 |
| 7.98 | AttenGpKa training set | 0 » -1 |
| 7.98 | QSARToolbox | 0 » -1 |
| 8.47 | OCHEM | 0 » -1 |
| 8.47 | OCHEM | 0 » -1 |
| 8.47 | Baltruschat ChEMBL | 0 » -1 |