Molecule ID: mol16616
SMILES: CC(C)CNCc1cc2sc(S(N)(=O)=O)cc2s1
InChI: InChI=1S/C11H16N2O2S3/c1-7(2)5-13-6-8-3-9-10(16-8)4-11(17-9)18(12,14)15/h3-4,7,13H,5-6H2,1-2H3,(H2,12,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.60 | OCHEM | 1 » 0 |
| 7.60 | Baltruschat ChEMBL | 1 » 0 |