Molecule ID: mol21168
SMILES: CCCCNCc1ccc(C(=O)c2csc(S(N)(=O)=O)c2)cc1
InChI: InChI=1S/C16H20N2O3S2/c1-2-3-8-18-10-12-4-6-13(7-5-12)16(19)14-9-15(22-11-14)23(17,20)21/h4-7,9,11,18H,2-3,8,10H2,1H3,(H2,17,20,21)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.12 | Baltruschat ChEMBL | 1 » 0 |
| 9.32 | Baltruschat ChEMBL | 0 » -1 |