Molecule ID: mol21181
SMILES: CC(C)(C)NCc1ccc(S(=O)(=O)c2csc(S(N)(=O)=O)c2)cc1
InChI: InChI=1S/C15H20N2O4S3/c1-15(2,3)17-9-11-4-6-12(7-5-11)23(18,19)13-8-14(22-10-13)24(16,20)21/h4-8,10,17H,9H2,1-3H3,(H2,16,20,21)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.08 | Baltruschat ChEMBL | 1 » 0 |
| 9.30 | Baltruschat ChEMBL | 0 » -1 |