Molecule ID: mol11172
SMILES: O=C1C=C(O)C(=O)c2ccccc21
InChI: InChI=1S/C10H6O3/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h1-5,12H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.38 | IUPAC digitized pKa | 0 » -1 |
| 2.38 | QSARToolbox | 0 » -1 |
| 2.38 | QSARToolbox | 0 » -1 |
| 2.38 | QSARToolbox | 0 » -1 |
| 3.19 | Datawarrior | 0 » -1 |
| 3.19 | OCHEM | 0 » -1 |
| 4.00 | IUPAC digitized pKa | 0 » -1 |
| 4.00 | AttenGpKa training set | 0 » -1 |