Molecule ID: mol1785
SMILES: Cc1cccc(C(=O)O)c1O
InChI: InChI=1S/C8H8O3/c1-5-3-2-4-6(7(5)9)8(10)11/h2-4,9H,1H3,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.82 | IUPAC digitized pKa | 0 » -1 |
| 2.84 | QSARToolbox | 0 » -1 |
| 2.95 | IUPAC digitized pKa | 0 » -1 |
| 2.95 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 2.95 | OCHEM | 0 » -1 |
| 2.95 | OCHEM | 0 » -1 |
| 2.95 | OCHEM | 0 » -1 |
| 2.95 | OCHEM | 0 » -1 |
| 2.95 | QSARToolbox | 0 » -1 |
| 2.95 | QSARToolbox | 0 » -1 |
| 2.99 | OCHEM | 0 » -1 |
| 2.99 | OCHEM | 0 » -1 |
| 2.99 | Hunt | 0 » -1 |
| 2.99 | OCHEM | 0 » -1 |
| 2.99 | IUPAC digitized pKa | 0 » -1 |
| 2.99 | IUPAC digitized pKa | 0 » -1 |
| 3.00 | IUPAC digitized pKa | 0 » -1 |
| 3.01 | IUPAC digitized pKa | 0 » -1 |
| 3.01 | IUPAC digitized pKa | 0 » -1 |
| 3.01 | OCHEM | 0 » -1 |
| 3.02 | Datawarrior | 0 » -1 |
| 3.02 | OCHEM | 0 » -1 |
| 3.03 | IUPAC digitized pKa | 0 » -1 |
| 3.06 | QSARToolbox | 0 » -1 |
| 3.10 | QSARToolbox | 0 » -1 |
| 3.10 | IUPAC digitized pKa | 0 » -1 |
| 3.10 | AttenGpKa training set | 0 » -1 |
| 3.14 | QSARToolbox | 0 » -1 |
| 3.17 | QSARToolbox | 0 » -1 |
| 12.19 | QSARToolbox | -1 » -2 |
| 13.85 | IUPAC digitized pKa | -1 » -2 |
| 13.85 | AttenGpKa training set | -1 » -2 |
| 13.85 | QSARToolbox | -1 » -2 |
| 14.14 | QSARToolbox | -1 » -2 |
| 14.36 | Datawarrior | -1 » -2 |
| 14.59 | QSARToolbox | -1 » -2 |
| 14.60 | IUPAC digitized pKa | -1 » -2 |
| 14.60 | QSARToolbox | -1 » -2 |