Molecule ID: mol21166
SMILES: CC(C)CNCc1ccc(C(=O)c2csc(S(N)(=O)=O)c2)cc1
InChI: InChI=1S/C16H20N2O3S2/c1-11(2)8-18-9-12-3-5-13(6-4-12)16(19)14-7-15(22-10-14)23(17,20)21/h3-7,10-11,18H,8-9H2,1-2H3,(H2,17,20,21)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.30 | Baltruschat ChEMBL | 1 » 0 |
| 9.55 | Baltruschat ChEMBL | 0 » -1 |