Molecule ID: mol795
SMILES: O=S(=O)(Nc1ccccc1)c1ccccc1
InChI: InChI=1S/C12H11NO2S/c14-16(15,12-9-5-2-6-10-12)13-11-7-3-1-4-8-11/h1-10,13H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.16 | QSARToolbox | 0 » -1 |
| 8.19 | QSARToolbox | 0 » -1 |
| 8.19 | QSARToolbox | 0 » -1 |
| 8.22 | Datawarrior | 0 » -1 |
| 8.22 | OCHEM | 0 » -1 |
| 8.31 | IUPAC digitized pKa | 0 » -1 |
| 8.31 | Hunt | 0 » -1 |
| 8.31 | QSARToolbox | 0 » -1 |
| 8.40 | AttenGpKa training set | 0 » -1 |
| 9.10 | OCHEM | 0 » -1 |
| 9.10 | OCHEM | 0 » -1 |
| 9.10 | Baltruschat ChEMBL | 0 » -1 |