Molecule ID: mol30910
SMILES: COc1ccc2c(c1)OC/C(=C\c1ccc(O)c(O)c1)C2=O
InChI: InChI=1S/C17H14O5/c1-21-12-3-4-13-16(8-12)22-9-11(17(13)20)6-10-2-5-14(18)15(19)7-10/h2-8,18-19H,9H2,1H3/b11-6+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.10 | AttenGpKa training set | 0 » -1 |
| 11.20 | AttenGpKa training set | -1 » -2 |