Molecule ID: mol11931
SMILES: O=C1c2ccccc2C(=O)c2c1ccc(O)c2O
InChI: InChI=1S/C14H8O4/c15-10-6-5-9-11(14(10)18)13(17)8-4-2-1-3-7(8)12(9)16/h1-6,15,18H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.57 | QSARToolbox | 0 » -1 |
| 7.45 | IUPAC digitized pKa | 0 » -1 |
| 7.45 | OCHEM | 0 » -1 |
| 11.80 | IUPAC digitized pKa | -1 » -2 |