Molecule ID: mol5698
SMILES: O=C(O)c1cccc2ccccc12
InChI: InChI=1S/C11H8O2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.54 | IUPAC digitized pKa | 0 » -1 |
| 3.55 | IUPAC digitized pKa | 0 » -1 |
| 3.60 | QSARToolbox | 0 » -1 |
| 3.60 | IUPAC digitized pKa | 0 » -1 |
| 3.60 | QSARToolbox | 0 » -1 |
| 3.60 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 3.62 | OCHEM | 0 » -1 |
| 3.63 | IUPAC digitized pKa | 0 » -1 |
| 3.64 | IUPAC digitized pKa | 0 » -1 |
| 3.64 | QSARToolbox | 0 » -1 |
| 3.66 | IUPAC digitized pKa | 0 » -1 |
| 3.67 | IUPAC digitized pKa | 0 » -1 |
| 3.69 | OCHEM | 0 » -1 |
| 3.69 | OCHEM | 0 » -1 |
| 3.69 | QSARToolbox | 0 » -1 |
| 3.69 | QSARToolbox | 0 » -1 |
| 3.69 | QSARToolbox | 0 » -1 |
| 3.70 | IUPAC digitized pKa | 0 » -1 |
| 3.70 | Datawarrior | 0 » -1 |
| 3.70 | OCHEM | 0 » -1 |
| 3.70 | QSARToolbox | 0 » -1 |
| 3.73 | IUPAC digitized pKa | 0 » -1 |
| 4.27 | IUPAC digitized pKa | 0 » -1 |