Molecule ID: mol21734
SMILES: CC(=O)Nc1ccc(C(=O)O)cc1
InChI: InChI=1S/C9H9NO3/c1-6(11)10-8-4-2-7(3-5-8)9(12)13/h2-5H,1H3,(H,10,11)(H,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.28 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 4.28 | OCHEM | 0 » -1 |
| 4.28 | OCHEM | 0 » -1 |
| 4.28 | AttenGpKa training set | 0 » -1 |
| 4.30 | QSARToolbox | 0 » -1 |
| 4.30 | QSARToolbox | 0 » -1 |