Molecule ID: mol799
SMILES: O=S(=O)(Nc1ccc(Cl)cc1)c1ccccc1
InChI: InChI=1S/C12H10ClNO2S/c13-10-6-8-11(9-7-10)14-17(15,16)12-4-2-1-3-5-12/h1-9,14H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.86 | QSARToolbox | 0 » -1 |
| 7.86 | QSARToolbox | 0 » -1 |
| 7.90 | QSARToolbox | 0 » -1 |
| 7.91 | OCHEM | 0 » -1 |
| 7.91 | Datawarrior | 0 » -1 |
| 7.92 | QSARToolbox | 0 » -1 |
| 7.93 | QSARToolbox | 0 » -1 |
| 7.93 | IUPAC digitized pKa | 0 » -1 |
| 7.93 | Hunt | 0 » -1 |
| 7.95 | QSARToolbox | 0 » -1 |
| 7.95 | AttenGpKa training set | 0 » -1 |
| 8.75 | OCHEM | 0 » -1 |
| 8.75 | OCHEM | 0 » -1 |
| 8.75 | Baltruschat ChEMBL | 0 » -1 |