Molecule ID: mol16121
SMILES: NS(=O)(=O)c1cc2cc(CN3CCOCC3)sc2o1
InChI: InChI=1S/C11H14N2O4S2/c12-19(14,15)10-6-8-5-9(18-11(8)17-10)7-13-1-3-16-4-2-13/h5-6H,1-4,7H2,(H2,12,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.32 | Baltruschat ChEMBL | 1 » 0 |
| 9.20 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 9.20 | Baltruschat ChEMBL | 0 » -1 |