Molecule ID: mol1845
SMILES: O=C(O)c1ccc2cccccc1-2
InChI: InChI=1S/C11H8O2/c12-11(13)10-7-6-8-4-2-1-3-5-9(8)10/h1-7H,(H,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.11 | QSARToolbox | 0 » -1 |
| 5.50 | IUPAC digitized pKa | 0 » -1 |
| 5.50 | Hunt | 0 » -1 |