Molecule ID: mol1088
SMILES: Nc1cccc(S(N)(=O)=O)c1
InChI: InChI=1S/C6H8N2O2S/c7-5-2-1-3-6(4-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.83 | AttenGpKa training set | 1 » 0 |
| 2.84 | QSARToolbox | 1 » 0 |
| 2.84 | QSARToolbox | 1 » 0 |
| 2.84 | IUPAC digitized pKa | 1 » 0 |
| 2.87 | OCHEM | 1 » 0 |
| 2.87 | Datawarrior | 1 » 0 |
| 2.90 | IUPAC digitized pKa | 1 » 0 |
| 2.90 | IUPAC digitized pKa | 1 » 0 |
| 2.90 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 2.90 | OCHEM | 1 » 0 |
| 2.90 | Hunt | 1 » 0 |
| 2.90 | QSARToolbox | 1 » 0 |
| 2.90 | QSARToolbox | 1 » 0 |
| 2.90 | QSARToolbox | 1 » 0 |
| 9.91 | AttenGpKa training set | 0 » -1 |