Molecule ID: mol9118
SMILES: O=c1c(O)c(O)c1=O
InChI: InChI=1S/C4H2O4/c5-1-2(6)4(8)3(1)7/h5-6H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.55 | IUPAC digitized pKa | 0 » -1 |
| 0.59 | QSARToolbox | 0 » -1 |
| 0.59 | QSARToolbox | 0 » -1 |
| 0.78 | AttenGpKa training set | 0 » -1 |
| 1.20 | IUPAC digitized pKa | 0 » -1 |
| 1.50 | IUPAC digitized pKa | 0 » -1 |
| 2.89 | IUPAC digitized pKa | -1 » -2 |
| 2.93 | IUPAC digitized pKa | -1 » -2 |
| 3.09 | IUPAC digitized pKa | -1 » -2 |
| 3.17 | IUPAC digitized pKa | -1 » -2 |
| 3.28 | IUPAC digitized pKa | -1 » -2 |
| 3.34 | AttenGpKa training set | -1 » -2 |
| 3.35 | IUPAC digitized pKa | -1 » -2 |
| 3.44 | IUPAC digitized pKa | -1 » -2 |
| 3.48 | IUPAC digitized pKa | -1 » -2 |
| 3.48 | IUPAC digitized pKa | -1 » -2 |
| 3.48 | QSARToolbox | -1 » -2 |
| 3.48 | QSARToolbox | -1 » -2 |
| 3.51 | IUPAC digitized pKa | -1 » -2 |
| 3.58 | IUPAC digitized pKa | -1 » -2 |
| 3.62 | IUPAC digitized pKa | -1 » -2 |