Molecule ID: mol29896
SMILES: O=c1oc2ccccc2c(O)c1Cc1c(O)c2ccccc2oc1=O
InChI: InChI=1S/C19H12O6/c20-16-10-5-1-3-7-14(10)24-18(22)12(16)9-13-17(21)11-6-2-4-8-15(11)25-19(13)23/h1-8,20-21H,9H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.40 | AttenGpKa training set | 0 » -1 |
| 8.00 | AttenGpKa training set | -1 » -2 |