Molecule ID: mol11171
SMILES: O=c1c(O)c(-c2ccccc2)c1=O
InChI: InChI=1S/C10H6O3/c11-8-7(9(12)10(8)13)6-4-2-1-3-5-6/h1-5,11H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -0.22 | IUPAC digitized pKa | 0 » -1 |
| 0.08 | AttenGpKa training set | 0 » -1 |
| 0.37 | IUPAC digitized pKa | 0 » -1 |
| 0.37 | Baltruschat ChEMBL | 0 » -1 |