Molecule ID: mol3374
SMILES: Nc1ccccc1S(N)(=O)=O
InChI: InChI=1S/C6H8N2O2S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.00 | IUPAC digitized pKa | 1 » 0 |
| 1.00 | Datawarrior | 1 » 0 |
| 1.00 | OCHEM | 1 » 0 |
| 1.00 | QSARToolbox | 1 » 0 |
| 1.00 | QSARToolbox | 1 » 0 |
| 1.00 | AttenGpKa training set | 1 » 0 |