Molecule ID: mol827
SMILES: O=C(O)c1ccccc1C(=O)c1ccccc1
InChI: InChI=1S/C14H10O3/c15-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)14(16)17/h1-9H,(H,16,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.54 | IUPAC digitized pKa | 0 » -1 |
| 3.54 | OCHEM | 0 » -1 |
| 3.54 | Hunt | 0 » -1 |
| 3.54 | QSARToolbox | 0 » -1 |
| 3.54 | QSARToolbox | 0 » -1 |
| 3.54 | Datawarrior | 0 » -1 |
| 3.54 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 3.54 | OCHEM | 0 » -1 |
| 3.54 | OCHEM | 0 » -1 |
| 3.54 | OCHEM | 0 » -1 |
| 3.54 | AttenGpKa training set | 0 » -1 |