Molecule ID: mol21809
SMILES: CNc1ccc(S(N)(=O)=O)cc1
InChI: InChI=1S/C7H10N2O2S/c1-9-6-2-4-7(5-3-6)12(8,10)11/h2-5,9H,1H3,(H2,8,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.77 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 11.00 | AttenGpKa training set | 0 » -1 |