Molecule ID: mol2258
SMILES: O=C(O)Cc1ccccc1
InChI: InChI=1S/C8H8O2/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.16 | QSARToolbox | 0 » -1 |
| 4.16 | QSARToolbox | 0 » -1 |
| 4.20 | QSARToolbox | 0 » -1 |
| 4.20 | IUPAC digitized pKa | 0 » -1 |
| 4.27 | Datawarrior | 0 » -1 |
| 4.27 | OCHEM | 0 » -1 |
| 4.29 | IUPAC digitized pKa | 0 » -1 |
| 4.30 | QSARToolbox | 0 » -1 |
| 4.31 | IUPAC digitized pKa | 0 » -1 |
| 4.31 | IUPAC digitized pKa | 0 » -1 |
| 4.31 | QSARToolbox | 0 » -1 |
| 4.31 | QSARToolbox | 0 » -1 |
| 4.31 | QSARToolbox | 0 » -1 |
| 4.31 | QSARToolbox | 0 » -1 |
| 4.31 | QSARToolbox | 0 » -1 |
| 4.31 | QSARToolbox | 0 » -1 |
| 4.31 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 4.31 | OCHEM | 0 » -1 |
| 4.31 | OCHEM | 0 » -1 |
| 4.31 | OCHEM | 0 » -1 |
| 4.31 | Hunt | 0 » -1 |
| 4.31 | OCHEM | 0 » -1 |
| 4.31 | OCHEM | 0 » -1 |
| 4.31 | OCHEM | 0 » -1 |
| 4.31 | OCHEM | 0 » -1 |
| 4.31 | OCHEM | 0 » -1 |
| 4.31 | AttenGpKa training set | 0 » -1 |
| 4.31 | IUPAC digitized pKa | 0 » -1 |
| 4.32 | QSARToolbox | 0 » -1 |
| 4.33 | IUPAC digitized pKa | 0 » -1 |
| 4.33 | IUPAC digitized pKa | 0 » -1 |
| 4.37 | IUPAC digitized pKa | 0 » -1 |
| 4.41 | IUPAC digitized pKa | 0 » -1 |
| 4.46 | IUPAC digitized pKa | 0 » -1 |
| 4.53 | IUPAC digitized pKa | 0 » -1 |
| 4.56 | QSARToolbox | 0 » -1 |
| 4.56 | QSARToolbox | 0 » -1 |
| 4.70 | QSARToolbox | 0 » -1 |
| 4.70 | QSARToolbox | 0 » -1 |
| 4.74 | QSARToolbox | 0 » -1 |
| 4.74 | QSARToolbox | 0 » -1 |
| 4.74 | QSARToolbox | 0 » -1 |
| 5.19 | QSARToolbox | 0 » -1 |
| 5.19 | QSARToolbox | 0 » -1 |
| 5.22 | QSARToolbox | 0 » -1 |
| 5.26 | QSARToolbox | 0 » -1 |
| 5.26 | QSARToolbox | 0 » -1 |
| 5.90 | QSARToolbox | 0 » -1 |
| 5.90 | QSARToolbox | 0 » -1 |
| 5.91 | QSARToolbox | 0 » -1 |
| 5.91 | QSARToolbox | 0 » -1 |
| 6.50 | QSARToolbox | 0 » -1 |
| 6.64 | QSARToolbox | 0 » -1 |
| 6.64 | QSARToolbox | 0 » -1 |
| 7.55 | QSARToolbox | 0 » -1 |