Molecule ID: mol1736
SMILES: CC(=O)c1ccccc1C(=O)O
InChI: InChI=1S/C9H8O3/c1-6(10)7-4-2-3-5-8(7)9(11)12/h2-5H,1H3,(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.12 | QSARToolbox | 0 » -1 |
| 4.12 | IUPAC digitized pKa | 0 » -1 |
| 4.12 | OCHEM | 0 » -1 |
| 4.13 | QSARToolbox | 0 » -1 |
| 4.13 | IUPAC digitized pKa | 0 » -1 |
| 4.13 | OCHEM | 0 » -1 |
| 4.13 | OCHEM | 0 » -1 |
| 4.13 | OCHEM | 0 » -1 |
| 4.13 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 4.13 | OCHEM | 0 » -1 |
| 4.13 | OCHEM | 0 » -1 |
| 4.13 | Hunt | 0 » -1 |
| 4.13 | OCHEM | 0 » -1 |
| 4.13 | OCHEM | 0 » -1 |
| 4.13 | AttenGpKa training set | 0 » -1 |
| 4.13 | QSARToolbox | 0 » -1 |
| 4.14 | QSARToolbox | 0 » -1 |
| 4.15 | Datawarrior | 0 » -1 |
| 4.15 | OCHEM | 0 » -1 |