Molecule ID: mol10904
SMILES: COc1cc(C(=O)O)cc(OC)c1O
InChI: InChI=1S/C9H10O5/c1-13-6-3-5(9(11)12)4-7(14-2)8(6)10/h3-4,10H,1-2H3,(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.20 | OCHEM | 0 » -1 |
| 4.20 | QSARToolbox | 0 » -1 |
| 4.20 | Datawarrior | 0 » -1 |
| 4.25 | IUPAC digitized pKa | 0 » -1 |
| 4.27 | AttenGpKa training set | 0 » -1 |
| 4.28 | IUPAC digitized pKa | 0 » -1 |
| 4.32 | IUPAC digitized pKa | 0 » -1 |
| 4.34 | IUPAC digitized pKa | 0 » -1 |
| 4.34 | IUPAC digitized pKa | 0 » -1 |
| 4.34 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 4.34 | OCHEM | 0 » -1 |
| 4.34 | OCHEM | 0 » -1 |
| 4.34 | OCHEM | 0 » -1 |
| 4.34 | OCHEM | 0 » -1 |
| 4.34 | OCHEM | 0 » -1 |
| 4.34 | QSARToolbox | 0 » -1 |
| 4.34 | QSARToolbox | 0 » -1 |
| 4.38 | IUPAC digitized pKa | 0 » -1 |
| 9.00 | AttenGpKa training set | -1 » -2 |
| 9.49 | QSARToolbox | -1 » -2 |
| 9.49 | IUPAC digitized pKa | -1 » -2 |
| 9.49 | OCHEM | -1 » -2 |