Molecule ID: mol37840
SMILES: CC(=O)OCC1=C(C=O)N2C(=O)[C@@H](NC(=O)Cc3cccs3)[C@H]2SC1
InChI: InChI=1S/C16H16N2O5S2/c1-9(20)23-7-10-8-25-16-14(15(22)18(16)12(10)6-19)17-13(21)5-11-3-2-4-24-11/h2-4,6,14,16H,5,7-8H2,1H3,(H,17,21)/t14-,16-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.50 | QSARToolbox | 0 » -1 |