Molecule ID: mol16625
SMILES: COCCNCc1cc2sc(S(N)(=O)=O)cc2s1
InChI: InChI=1S/C10H14N2O3S3/c1-15-3-2-12-6-7-4-8-9(16-7)5-10(17-8)18(11,13)14/h4-5,12H,2-3,6H2,1H3,(H2,11,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.65 | OCHEM | 1 » 0 |
| 6.65 | Baltruschat ChEMBL | 1 » 0 |