Molecule ID: mol37834
SMILES: Cc1ccc(OCC(=O)N[C@@H]2C(=O)N3[C@@H]2SC(C)(C)[C@@H]3C(=O)O)cc1
InChI: InChI=1S/C17H20N2O5S/c1-9-4-6-10(7-5-9)24-8-11(20)18-12-14(21)19-13(16(22)23)17(2,3)25-15(12)19/h4-7,12-13,15H,8H2,1-3H3,(H,18,20)(H,22,23)/t12-,13+,15-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.80 | QSARToolbox | 0 » -1 |