Molecule ID: mol10892
SMILES: COc1ccc(C(=O)O)c(OC)c1
InChI: InChI=1S/C9H10O4/c1-12-6-3-4-7(9(10)11)8(5-6)13-2/h3-5H,1-2H3,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.24 | IUPAC digitized pKa | 0 » -1 |
| 4.26 | IUPAC digitized pKa | 0 » -1 |
| 4.28 | IUPAC digitized pKa | 0 » -1 |
| 4.32 | IUPAC digitized pKa | 0 » -1 |
| 4.36 | IUPAC digitized pKa | 0 » -1 |
| 4.36 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 4.36 | OCHEM | 0 » -1 |
| 4.36 | OCHEM | 0 » -1 |
| 4.36 | OCHEM | 0 » -1 |
| 4.36 | OCHEM | 0 » -1 |
| 4.36 | OCHEM | 0 » -1 |
| 4.36 | QSARToolbox | 0 » -1 |
| 4.36 | QSARToolbox | 0 » -1 |
| 4.47 | AttenGpKa training set | 0 » -1 |
| 4.58 | QSARToolbox | 0 » -1 |