Molecule ID: mol5619
SMILES: COc1cccc(C(=O)O)c1
InChI: InChI=1S/C8H8O3/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5H,1H3,(H,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.92 | QSARToolbox | 0 » -1 |
| 4.00 | QSARToolbox | 0 » -1 |
| 4.00 | QSARToolbox | 0 » -1 |
| 4.06 | OCHEM | 0 » -1 |
| 4.06 | Datawarrior | 0 » -1 |
| 4.08 | OCHEM | 0 » -1 |
| 4.08 | OCHEM | 0 » -1 |
| 4.09 | IUPAC digitized pKa | 0 » -1 |
| 4.09 | OCHEM | 0 » -1 |
| 4.09 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 4.09 | OCHEM | 0 » -1 |
| 4.09 | OCHEM | 0 » -1 |
| 4.09 | OCHEM | 0 » -1 |
| 4.09 | OCHEM | 0 » -1 |
| 4.09 | AttenGpKa training set | 0 » -1 |
| 4.09 | QSARToolbox | 0 » -1 |
| 4.10 | IUPAC digitized pKa | 0 » -1 |
| 4.10 | QSARToolbox | 0 » -1 |
| 4.11 | QSARToolbox | 0 » -1 |
| 4.12 | QSARToolbox | 0 » -1 |
| 4.12 | QSARToolbox | 0 » -1 |
| 4.12 | QSARToolbox | 0 » -1 |
| 4.86 | QSARToolbox | 0 » -1 |
| 4.90 | QSARToolbox | 0 » -1 |