Molecule ID: mol10390
SMILES: O=C(O)c1cccccc1=O
InChI: InChI=1S/C8H6O3/c9-7-5-3-1-2-4-6(7)8(10)11/h1-5H,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.73 | IUPAC digitized pKa | 0 » -1 |
| 3.73 | Datawarrior | 0 » -1 |
| 3.73 | OCHEM | 0 » -1 |
| 3.73 | AttenGpKa training set | 0 » -1 |