Molecule ID: mol21177
SMILES: CCCCNCc1ccc(S(=O)(=O)c2csc(S(N)(=O)=O)c2)cc1
InChI: InChI=1S/C15H20N2O4S3/c1-2-3-8-17-10-12-4-6-13(7-5-12)23(18,19)14-9-15(22-11-14)24(16,20)21/h4-7,9,11,17H,2-3,8,10H2,1H3,(H2,16,20,21)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.12 | Baltruschat ChEMBL | 1 » 0 |
| 9.35 | Baltruschat ChEMBL | 0 » -1 |