Molecule ID: mol1788
SMILES: Cc1cccc(O)c1C(=O)O
InChI: InChI=1S/C8H8O3/c1-5-3-2-4-6(9)7(5)8(10)11/h2-4,9H,1H3,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.14 | AttenGpKa training set | 0 » -1 |
| 3.16 | IUPAC digitized pKa | 0 » -1 |
| 3.16 | QSARToolbox | 0 » -1 |
| 3.21 | QSARToolbox | 0 » -1 |
| 3.32 | QSARToolbox | 0 » -1 |
| 3.32 | QSARToolbox | 0 » -1 |
| 3.32 | QSARToolbox | 0 » -1 |
| 3.32 | IUPAC digitized pKa | 0 » -1 |
| 3.32 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 3.32 | OCHEM | 0 » -1 |
| 3.32 | Hunt | 0 » -1 |
| 3.32 | OCHEM | 0 » -1 |
| 3.35 | OCHEM | 0 » -1 |
| 3.35 | Datawarrior | 0 » -1 |
| 3.53 | QSARToolbox | 0 » -1 |
| 3.53 | QSARToolbox | 0 » -1 |