Molecule ID: mol20965
SMILES: NS(=O)(=O)c1ccc(SCCCO)c([N+](=O)[O-])c1
InChI: InChI=1S/C9H12N2O5S2/c10-18(15,16)7-2-3-9(17-5-1-4-12)8(6-7)11(13)14/h2-3,6,12H,1,4-5H2,(H2,10,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.38 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 9.38 | Baltruschat ChEMBL | 0 » -1 |