Molecule ID: mol10891
SMILES: COc1cccc(C(=O)O)c1OC
InChI: InChI=1S/C9H10O4/c1-12-7-5-3-4-6(9(10)11)8(7)13-2/h3-5H,1-2H3,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.50 | QSARToolbox | 0 » -1 |
| 3.53 | QSARToolbox | 0 » -1 |
| 3.76 | AttenGpKa training set | 0 » -1 |
| 3.86 | IUPAC digitized pKa | 0 » -1 |
| 3.86 | IUPAC digitized pKa | 0 » -1 |
| 3.90 | IUPAC digitized pKa | 0 » -1 |
| 3.94 | IUPAC digitized pKa | 0 » -1 |
| 3.98 | IUPAC digitized pKa | 0 » -1 |
| 3.98 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 3.98 | OCHEM | 0 » -1 |
| 3.98 | OCHEM | 0 » -1 |
| 3.98 | OCHEM | 0 » -1 |
| 3.98 | OCHEM | 0 » -1 |
| 3.98 | OCHEM | 0 » -1 |
| 3.98 | QSARToolbox | 0 » -1 |
| 3.98 | QSARToolbox | 0 » -1 |