Molecule ID: mol10840
SMILES: O=C(O)/C=C\c1ccccc1
InChI: InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6-
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.88 | Datawarrior | 0 » -1 |
| 3.88 | AttenGpKa training set | 0 » -1 |
| 3.88 | QSARToolbox | 0 » -1 |
| 3.93 | IUPAC digitized pKa | 0 » -1 |
| 4.20 | QSARToolbox | 0 » -1 |