Molecule ID: mol10986
SMILES: CC(=O)Nc1cccc(C(=O)O)c1
InChI: InChI=1S/C9H9NO3/c1-6(11)10-8-4-2-3-7(5-8)9(12)13/h2-5H,1H3,(H,10,11)(H,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.03 | IUPAC digitized pKa | 0 » -1 |
| 4.03 | AttenGpKa training set | 0 » -1 |
| 4.06 | QSARToolbox | 0 » -1 |
| 4.06 | QSARToolbox | 0 » -1 |
| 4.07 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 4.07 | OCHEM | 0 » -1 |
| 4.07 | OCHEM | 0 » -1 |