Molecule ID: mol29666
SMILES: O=c1cc(-c2ccccc2)oc2cc(O)cc(O)c12
InChI: InChI=1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.47 | AttenGpKa training set | 0 » -1 |
| 9.14 | QSARToolbox | -1 » -2 |