Molecule ID: mol20987
SMILES: NS(=O)(=O)c1ccc(S(=O)(=O)CCCO)c([N+](=O)[O-])c1
InChI: InChI=1S/C9H12N2O7S2/c10-20(17,18)7-2-3-9(8(6-7)11(13)14)19(15,16)5-1-4-12/h2-3,6,12H,1,4-5H2,(H2,10,17,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.00 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 8.00 | Baltruschat ChEMBL | 0 » -1 |