Molecule ID: mol21194
SMILES: CCC(C)NCc1cccc(S(=O)(=O)c2csc(S(N)(=O)=O)c2)c1
InChI: InChI=1S/C15H20N2O4S3/c1-3-11(2)17-9-12-5-4-6-13(7-12)23(18,19)14-8-15(22-10-14)24(16,20)21/h4-8,10-11,17H,3,9H2,1-2H3,(H2,16,20,21)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.45 | Baltruschat ChEMBL | 1 » 0 |
| 9.05 | Baltruschat ChEMBL | 0 » -1 |