Molecule ID: mol14530
SMILES: C/C=C/C1=C(O)C(=O)c2ccccc2C1=O
InChI: InChI=1S/C13H10O3/c1-2-5-10-11(14)8-6-3-4-7-9(8)12(15)13(10)16/h2-7,16H,1H3/b5-2+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.78 | Datawarrior | 0 » -1 |
| 4.80 | AttenGpKa training set | 0 » -1 |