Molecule ID: mol1166
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 |
|---|---|---|
| 4.27 | QSARToolbox | 0 » -1 |
| 4.40 | Datawarrior | 0 » -1 |
| 4.42 | IUPAC digitized pKa | 0 » -1 |
| 4.42 | QSARToolbox | 0 » -1 |
| 4.43 | QSARToolbox | 0 » -1 |
| 4.44 | QSARToolbox | 0 » -1 |
| 4.45 | OCHEM | 0 » -1 |
| 4.45 | OCHEM | 0 » -1 |
| 4.45 | OCHEM | 0 » -1 |
| 4.45 | Hunt | 0 » -1 |
| 4.45 | OCHEM | 0 » -1 |
| 4.45 | Baltruschat ChEMBL | 0 » -1 |
| 4.50 | IUPAC digitized pKa | 0 » -1 |