Molecule ID: mol1738
SMILES: CC(=O)c1ccc(C(=O)O)cc1
InChI: InChI=1S/C9H8O3/c1-6(10)7-2-4-8(5-3-7)9(11)12/h2-5H,1H3,(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.70 | IUPAC digitized pKa | 0 » -1 |
| 3.70 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 3.70 | OCHEM | 0 » -1 |
| 3.70 | OCHEM | 0 » -1 |
| 3.70 | OCHEM | 0 » -1 |
| 3.70 | Hunt | 0 » -1 |
| 3.70 | OCHEM | 0 » -1 |
| 3.70 | OCHEM | 0 » -1 |
| 3.70 | OCHEM | 0 » -1 |
| 3.70 | OCHEM | 0 » -1 |
| 3.70 | OCHEM | 0 » -1 |
| 3.70 | QSARToolbox | 0 » -1 |
| 3.70 | QSARToolbox | 0 » -1 |
| 3.70 | QSARToolbox | 0 » -1 |
| 3.71 | OCHEM | 0 » -1 |
| 3.72 | Datawarrior | 0 » -1 |
| 3.72 | OCHEM | 0 » -1 |
| 3.72 | AttenGpKa training set | 0 » -1 |
| 3.74 | QSARToolbox | 0 » -1 |