Molecule ID: mol10908
SMILES: OCc1cc(CO)c(O)c(CO)c1
InChI: InChI=1S/C9H12O4/c10-3-6-1-7(4-11)9(13)8(2-6)5-12/h1-2,10-13H,3-5H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.10 | IUPAC digitized pKa | 0 » -1 |
| 9.15 | IUPAC digitized pKa | 0 » -1 |
| 9.19 | IUPAC digitized pKa | 0 » -1 |
| 9.24 | IUPAC digitized pKa | 0 » -1 |
| 9.29 | IUPAC digitized pKa | 0 » -1 |
| 9.34 | IUPAC digitized pKa | 0 » -1 |
| 9.39 | IUPAC digitized pKa | 0 » -1 |
| 9.45 | IUPAC digitized pKa | 0 » -1 |
| 9.51 | IUPAC digitized pKa | 0 » -1 |
| 9.56 | OCHEM | 0 » -1 |
| 9.56 | OCHEM | 0 » -1 |
| 9.56 | OCHEM | 0 » -1 |
| 9.56 | QSARToolbox | 0 » -1 |
| 9.56 | QSARToolbox | 0 » -1 |
| 9.56 | QSARToolbox | 0 » -1 |
| 9.66 | AttenGpKa training set | 0 » -1 |