Molecule ID: mol37412
SMILES: O=C(O)CC[C@H](NC(=O)c1ccccc1)C(=O)O
InChI: InChI=1S/C12H13NO5/c14-10(15)7-6-9(12(17)18)13-11(16)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,16)(H,14,15)(H,17,18)/t9-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.49 | QSARToolbox | 0 » -1 |
| 4.99 | QSARToolbox | -1 » -2 |