Molecule ID: mol2242
SMILES: O=C(O)c1c(O)cccc1O
InChI: InChI=1S/C7H6O4/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3,8-9H,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.05 | QSARToolbox | 0 » -1 |
| 1.05 | QSARToolbox | 0 » -1 |
| 1.05 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 1.05 | OCHEM | 0 » -1 |
| 1.05 | IUPAC digitized pKa | 0 » -1 |
| 1.05 | OCHEM | 0 » -1 |
| 1.05 | OCHEM | 0 » -1 |
| 1.05 | OCHEM | 0 » -1 |
| 1.06 | OCHEM | 0 » -1 |
| 1.07 | IUPAC digitized pKa | 0 » -1 |
| 1.10 | OCHEM | 0 » -1 |
| 1.10 | Hunt | 0 » -1 |
| 1.22 | QSARToolbox | 0 » -1 |
| 1.29 | QSARToolbox | 0 » -1 |
| 1.30 | OCHEM | 0 » -1 |
| 1.30 | OCHEM | 0 » -1 |
| 1.51 | QSARToolbox | 0 » -1 |
| 1.70 | QSARToolbox | 0 » -1 |
| 1.73 | AttenGpKa training set | 0 » -1 |
| 2.70 | OCHEM | 0 » -1 |
| 2.70 | Baltruschat ChEMBL | 0 » -1 |
| 5.10 | OCHEM | 0 » -1 |
| 5.10 | Baltruschat ChEMBL | 0 » -1 |
| 13.03 | AttenGpKa training set | -2 » -3 |
| 13.95 | AttenGpKa training set | -2 » -3 |