Molecule ID: mol37842
SMILES: O=C(Cc1ccccc1)N[C@@H]1C(=O)N2C3=C(COC3=O)CS[C@H]12
InChI: InChI=1S/C16H14N2O4S/c19-11(6-9-4-2-1-3-5-9)17-12-14(20)18-13-10(7-22-16(13)21)8-23-15(12)18/h1-5,12,15H,6-8H2,(H,17,19)/t12-,15-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.80 | QSARToolbox | 1 » 0 |