Molecule ID: mol1787
SMILES: Cc1ccc(O)c(C(=O)O)c1
InChI: InChI=1S/C8H8O3/c1-5-2-3-7(9)6(4-5)8(10)11/h2-4,9H,1H3,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.87 | QSARToolbox | 0 » -1 |
| 2.90 | IUPAC digitized pKa | 0 » -1 |
| 2.90 | QSARToolbox | 0 » -1 |
| 3.01 | Datawarrior | 0 » -1 |
| 3.01 | OCHEM | 0 » -1 |
| 3.02 | QSARToolbox | 0 » -1 |
| 3.03 | IUPAC digitized pKa | 0 » -1 |
| 3.03 | OCHEM | 0 » -1 |
| 3.12 | QSARToolbox | 0 » -1 |
| 3.14 | QSARToolbox | 0 » -1 |
| 3.15 | IUPAC digitized pKa | 0 » -1 |
| 3.15 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 3.15 | OCHEM | 0 » -1 |
| 3.15 | OCHEM | 0 » -1 |
| 3.15 | OCHEM | 0 » -1 |
| 3.15 | OCHEM | 0 » -1 |
| 3.15 | AttenGpKa training set | 0 » -1 |
| 3.15 | QSARToolbox | 0 » -1 |
| 3.15 | QSARToolbox | 0 » -1 |
| 3.23 | QSARToolbox | 0 » -1 |
| 3.30 | QSARToolbox | 0 » -1 |
| 4.08 | OCHEM | 0 » -1 |
| 4.08 | Hunt | 0 » -1 |
| 13.35 | IUPAC digitized pKa | -1 » -2 |
| 13.35 | AttenGpKa training set | -1 » -2 |
| 13.35 | QSARToolbox | -1 » -2 |
| 13.74 | QSARToolbox | -1 » -2 |
| 13.96 | Datawarrior | -1 » -2 |
| 14.18 | QSARToolbox | -1 » -2 |