Molecule ID: mol8743
SMILES: CCOc1cc(O)cc(OCC)c1
InChI: InChI=1S/C10H14O3/c1-3-12-9-5-8(11)6-10(7-9)13-4-2/h5-7,11H,3-4H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.08 | IUPAC digitized pKa | 0 » -1 |
| 9.11 | IUPAC digitized pKa | 0 » -1 |
| 9.14 | IUPAC digitized pKa | 0 » -1 |
| 9.18 | IUPAC digitized pKa | 0 » -1 |
| 9.22 | IUPAC digitized pKa | 0 » -1 |
| 9.27 | IUPAC digitized pKa | 0 » -1 |
| 9.32 | IUPAC digitized pKa | 0 » -1 |
| 9.37 | QSARToolbox | 0 » -1 |
| 9.37 | QSARToolbox | 0 » -1 |
| 9.37 | IUPAC digitized pKa | 0 » -1 |
| 9.37 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 9.37 | OCHEM | 0 » -1 |
| 9.37 | OCHEM | 0 » -1 |
| 9.37 | OCHEM | 0 » -1 |
| 9.37 | OCHEM | 0 » -1 |
| 9.37 | AttenGpKa training set | 0 » -1 |
| 9.43 | IUPAC digitized pKa | 0 » -1 |
| 9.50 | IUPAC digitized pKa | 0 » -1 |
| 9.57 | IUPAC digitized pKa | 0 » -1 |
| 9.64 | IUPAC digitized pKa | 0 » -1 |
| 10.32 | IUPAC digitized pKa | 0 » -1 |