Molecule ID: mol16635
SMILES: NS(=O)(=O)c1cc2cc(CNCC3CC3)sc2s1
InChI: InChI=1S/C11H14N2O2S3/c12-18(14,15)10-4-8-3-9(16-11(8)17-10)6-13-5-7-1-2-7/h3-4,7,13H,1-2,5-6H2,(H2,12,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.72 | OCHEM | 1 » 0 |
| 7.72 | Baltruschat ChEMBL | 1 » 0 |