Molecule ID: mol15259
SMILES: CC(=O)Oc1ccccc1C(=O)NCC(=O)O
InChI: InChI=1S/C11H11NO5/c1-7(13)17-9-5-3-2-4-8(9)11(16)12-6-10(14)15/h2-5H,6H2,1H3,(H,12,16)(H,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.77 | QSARToolbox | 0 » -1 |
| 3.77 | Datawarrior | 0 » -1 |
| 3.77 | OCHEM | 0 » -1 |