Molecule ID: mol21196
SMILES: CC(C)NCc1cccc(S(=O)(=O)c2csc(S(N)(=O)=O)c2)c1
InChI: InChI=1S/C14H18N2O4S3/c1-10(2)16-8-11-4-3-5-12(6-11)22(17,18)13-7-14(21-9-13)23(15,19)20/h3-7,9-10,16H,8H2,1-2H3,(H2,15,19,20)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.95 | Baltruschat ChEMBL | 1 » 0 |
| 9.20 | Baltruschat ChEMBL | 0 » -1 |