Molecule ID: mol11198
SMILES: CC(=O)CC(=O)c1ccccc1
InChI: InChI=1S/C10H10O2/c1-8(11)7-10(12)9-5-3-2-4-6-9/h2-6H,7H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.23 | OCHEM | 0 » -1 |
| 8.23 | OCHEM | 0 » -1 |
| 8.59 | AttenGpKa training set | 0 » -1 |
| 8.68 | IUPAC digitized pKa | 0 » -1 |
| 8.68 | QSARToolbox | 0 » -1 |
| 8.69 | QSARToolbox | 0 » -1 |
| 8.69 | QSARToolbox | 0 » -1 |
| 8.69 | OCHEM | 0 » -1 |
| 8.69 | Datawarrior | 0 » -1 |
| 8.90 | IUPAC digitized pKa | 0 » -1 |