Molecule ID: mol36179
SMILES: O=C(O)CNC(=O)c1ccc(NC(=O)CN(CC(=O)O)CC(=O)O)cc1
InChI: InChI=1S/C15H17N3O8/c19-11(6-18(7-13(22)23)8-14(24)25)17-10-3-1-9(2-4-10)15(26)16-5-12(20)21/h1-4H,5-8H2,(H,16,26)(H,17,19)(H,20,21)(H,22,23)(H,24,25)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.55 | QSARToolbox | -1 » -2 |