Molecule ID: mol16622
SMILES: NS(=O)(=O)c1cc2cc(CNCCO)sc2s1
InChI: InChI=1S/C9H12N2O3S3/c10-17(13,14)8-4-6-3-7(5-11-1-2-12)15-9(6)16-8/h3-4,11-12H,1-2,5H2,(H2,10,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.18 | OCHEM | 1 » 0 |
| 7.18 | Baltruschat ChEMBL | 1 » 0 |