Molecule ID: mol10985
SMILES: CC(=O)Nc1ccccc1C(=O)O
InChI: InChI=1S/C9H9NO3/c1-6(11)10-8-5-3-2-4-7(8)9(12)13/h2-5H,1H3,(H,10,11)(H,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.40 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 3.40 | OCHEM | 0 » -1 |
| 3.40 | OCHEM | 0 » -1 |
| 3.40 | OCHEM | 0 » -1 |
| 3.40 | OCHEM | 0 » -1 |
| 3.61 | QSARToolbox | 0 » -1 |
| 3.63 | OCHEM | 0 » -1 |
| 3.63 | OCHEM | 0 » -1 |
| 3.67 | AttenGpKa training set | 0 » -1 |