Molecule ID: mol18182
SMILES: C[C@H](CO)Nc1cc(C(=O)NS(C)(=O)=O)nc(SCc2ccccc2)n1
InChI: InChI=1S/C16H20N4O4S2/c1-11(9-21)17-14-8-13(15(22)20-26(2,23)24)18-16(19-14)25-10-12-6-4-3-5-7-12/h3-8,11,21H,9-10H2,1-2H3,(H,20,22)(H,17,18,19)/t11-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.90 | Baltruschat ChEMBL | 0 » -1 |