Molecule ID: mol21158
SMILES: NS(=O)(=O)c1cc(S(=O)(=O)c2ccc(CN3CCOCC3)cc2)cs1
InChI: InChI=1S/C15H18N2O5S3/c16-25(20,21)15-9-14(11-23-15)24(18,19)13-3-1-12(2-4-13)10-17-5-7-22-8-6-17/h1-4,9,11H,5-8,10H2,(H2,16,20,21)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.28 | Baltruschat ChEMBL | 1 » 0 |
| 8.84 | Baltruschat ChEMBL | 0 » -1 |