Molecule ID: mol10841
SMILES: CC(=O)c1cccc(=O)c(O)c1
InChI: InChI=1S/C9H8O3/c1-6(10)7-3-2-4-8(11)9(12)5-7/h2-5H,1H3,(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.41 | IUPAC digitized pKa | 0 » -1 |
| 5.60 | AttenGpKa training set | 0 » -1 |
| 6.16 | OCHEM | 0 » -1 |
| 6.16 | Datawarrior | 0 » -1 |