Molecule ID: mol37009
SMILES: COc1cc2ccc(O)cc2[o+]c1-c1ccc(O)c(O)c1
InChI: InChI=1S/C16H12O5/c1-20-15-7-9-2-4-11(17)8-14(9)21-16(15)10-3-5-12(18)13(19)6-10/h2-8H,1H3,(H2-,17,18,19)/p+1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.40 | QSARToolbox | 1 » 0 |
| 7.62 | QSARToolbox | 0 » -1 |