Molecule ID: mol11178
SMILES: CC1C(=O)c2ccccc2C1=O
InChI: InChI=1S/C10H8O2/c1-6-9(11)7-4-2-3-5-8(7)10(6)12/h2-6H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.15 | IUPAC digitized pKa | 0 » -1 |
| 6.15 | AttenGpKa training set | 0 » -1 |
| 6.15 | QSARToolbox | 0 » -1 |
| 6.15 | QSARToolbox | 0 » -1 |
| 6.17 | Datawarrior | 0 » -1 |
| 6.17 | OCHEM | 0 » -1 |