Molecule ID: mol1142
SMILES: O=C(O)C(c1ccccc1)(c1ccccc1)c1ccccc1
InChI: InChI=1S/C20H16O2/c21-19(22)20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H,(H,21,22)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.96 | OCHEM | 0 » -1 |
| 3.96 | Hunt | 0 » -1 |
| 3.96 | OCHEM | 0 » -1 |
| 3.96 | OCHEM | 0 » -1 |
| 3.96 | QSARToolbox | 0 » -1 |