Molecule ID: mol1078
SMILES: CS(=O)(=O)c1ccc(N)cc1
InChI: InChI=1S/C7H9NO2S/c1-11(9,10)7-4-2-6(8)3-5-7/h2-5H,8H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.35 | IUPAC digitized pKa | 1 » 0 |
| 1.35 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 1.35 | OCHEM | 1 » 0 |
| 1.35 | Hunt | 1 » 0 |
| 1.35 | OCHEM | 1 » 0 |
| 1.35 | QSARToolbox | 1 » 0 |
| 1.36 | OCHEM | 1 » 0 |
| 1.36 | QSARToolbox | 1 » 0 |
| 1.36 | IUPAC digitized pKa | 1 » 0 |
| 1.47 | QSARToolbox | 1 » 0 |
| 1.48 | OCHEM | 1 » 0 |
| 1.48 | OCHEM | 1 » 0 |
| 1.48 | AttenGpKa training set | 1 » 0 |
| 1.48 | QSARToolbox | 1 » 0 |