Molecule ID: mol10895
SMILES: COc1cc(OC)cc(C(=O)O)c1
InChI: InChI=1S/C9H10O4/c1-12-7-3-6(9(10)11)4-8(5-7)13-2/h3-5H,1-2H3,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.87 | IUPAC digitized pKa | 0 » -1 |
| 3.90 | IUPAC digitized pKa | 0 » -1 |
| 3.92 | IUPAC digitized pKa | 0 » -1 |
| 3.95 | IUPAC digitized pKa | 0 » -1 |
| 3.97 | IUPAC digitized pKa | 0 » -1 |
| 3.97 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 3.97 | OCHEM | 0 » -1 |
| 3.97 | OCHEM | 0 » -1 |
| 3.97 | OCHEM | 0 » -1 |
| 3.97 | OCHEM | 0 » -1 |
| 3.97 | OCHEM | 0 » -1 |
| 3.97 | AttenGpKa training set | 0 » -1 |
| 3.97 | QSARToolbox | 0 » -1 |
| 3.97 | QSARToolbox | 0 » -1 |