Molecule ID: mol11933
SMILES: CC1=CC(=O)C(C2=C(O)C(=O)C(C)=CC2=O)=C(O)C1=O
InChI: InChI=1S/C14H10O6/c1-5-3-7(15)9(13(19)11(5)17)10-8(16)4-6(2)12(18)14(10)20/h3-4,19-20H,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.02 | QSARToolbox | 0 » -1 |
| 3.02 | IUPAC digitized pKa | 0 » -1 |
| 5.95 | IUPAC digitized pKa | -1 » -2 |
| 6.30 | AttenGpKa training set | -1 » -2 |