Molecule ID: mol22347
SMILES: O=C(O)C1=CCc2ccccc21
InChI: InChI=1S/C10H8O2/c11-10(12)9-6-5-7-3-1-2-4-8(7)9/h1-4,6H,5H2,(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.50 | AttenGpKa training set | 0 » -1 |
| 11.69 | QSARToolbox | -1 » -2 |
| 15.20 | QSARToolbox | -1 » -2 |