Molecule ID: mol20983
SMILES: NS(=O)(=O)c1ccc(SCCO)c([N+](=O)[O-])c1
InChI: InChI=1S/C8H10N2O5S2/c9-17(14,15)6-1-2-8(16-4-3-11)7(5-6)10(12)13/h1-2,5,11H,3-4H2,(H2,9,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.42 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 9.42 | Baltruschat ChEMBL | 0 » -1 |