Molecule ID: mol1786
SMILES: Cc1ccc(C(=O)O)c(O)c1
InChI: InChI=1S/C8H8O3/c1-5-2-3-6(8(10)11)7(9)4-5/h2-4,9H,1H3,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.94 | QSARToolbox | 0 » -1 |
| 2.94 | QSARToolbox | 0 » -1 |
| 2.95 | QSARToolbox | 0 » -1 |
| 2.97 | IUPAC digitized pKa | 0 » -1 |
| 2.97 | QSARToolbox | 0 » -1 |
| 3.02 | QSARToolbox | 0 » -1 |
| 3.11 | OCHEM | 0 » -1 |
| 3.11 | IUPAC digitized pKa | 0 » -1 |
| 3.11 | Datawarrior | 0 » -1 |
| 3.13 | QSARToolbox | 0 » -1 |
| 3.14 | IUPAC digitized pKa | 0 » -1 |
| 3.15 | IUPAC digitized pKa | 0 » -1 |
| 3.15 | IUPAC digitized pKa | 0 » -1 |
| 3.16 | IUPAC digitized pKa | 0 » -1 |
| 3.17 | OCHEM | 0 » -1 |
| 3.17 | OCHEM | 0 » -1 |
| 3.17 | Hunt | 0 » -1 |
| 3.17 | OCHEM | 0 » -1 |
| 3.17 | QSARToolbox | 0 » -1 |
| 3.17 | IUPAC digitized pKa | 0 » -1 |
| 3.17 | OCHEM | 0 » -1 |
| 3.27 | AttenGpKa training set | 0 » -1 |
| 3.29 | QSARToolbox | 0 » -1 |
| 3.40 | IUPAC digitized pKa | 0 » -1 |
| 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 |
| 3.40 | QSARToolbox | 0 » -1 |
| 3.40 | QSARToolbox | 0 » -1 |
| 13.45 | QSARToolbox | -1 » -2 |
| 13.45 | IUPAC digitized pKa | -1 » -2 |
| 13.45 | AttenGpKa training set | -1 » -2 |
| 13.54 | QSARToolbox | -1 » -2 |
| 13.76 | Datawarrior | -1 » -2 |
| 13.98 | QSARToolbox | -1 » -2 |