Molecule ID: mol1077
SMILES: CS(=O)(=O)c1cccc(N)c1
InChI: InChI=1S/C7H9NO2S/c1-11(9,10)7-4-2-3-6(8)5-7/h2-5H,8H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.56 | IUPAC digitized pKa | 1 » 0 |
| 2.56 | Hunt | 1 » 0 |
| 2.56 | QSARToolbox | 1 » 0 |
| 2.57 | OCHEM | 1 » 0 |
| 2.58 | QSARToolbox | 1 » 0 |
| 2.58 | IUPAC digitized pKa | 1 » 0 |
| 2.68 | OCHEM | 1 » 0 |
| 2.68 | OCHEM | 1 » 0 |
| 2.68 | AttenGpKa training set | 1 » 0 |
| 2.68 | QSARToolbox | 1 » 0 |
| 2.70 | QSARToolbox | 1 » 0 |