Molecule ID: mol10439
SMILES: OCc1ccc(O)c(CO)c1
InChI: InChI=1S/C8H10O3/c9-4-6-1-2-8(11)7(3-6)5-10/h1-3,9-11H,4-5H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.31 | IUPAC digitized pKa | 0 » -1 |
| 9.36 | IUPAC digitized pKa | 0 » -1 |
| 9.41 | IUPAC digitized pKa | 0 » -1 |
| 9.46 | IUPAC digitized pKa | 0 » -1 |
| 9.52 | IUPAC digitized pKa | 0 » -1 |
| 9.57 | IUPAC digitized pKa | 0 » -1 |
| 9.63 | IUPAC digitized pKa | 0 » -1 |
| 9.69 | IUPAC digitized pKa | 0 » -1 |
| 9.75 | IUPAC digitized pKa | 0 » -1 |
| 9.77 | Datawarrior | 0 » -1 |
| 9.77 | OCHEM | 0 » -1 |
| 9.77 | AttenGpKa training set | 0 » -1 |
| 9.77 | QSARToolbox | 0 » -1 |
| 9.77 | QSARToolbox | 0 » -1 |
| 9.77 | QSARToolbox | 0 » -1 |
| 9.77 | OCHEM | 0 » -1 |
| 9.79 | OCHEM | 0 » -1 |
| 9.79 | OCHEM | 0 » -1 |