Molecule ID: mol9997
SMILES: O=C(O)C1CCCCC1
InChI: InChI=1S/C7H12O2/c8-7(9)6-4-2-1-3-5-6/h6H,1-5H2,(H,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.88 | QSARToolbox | 0 » -1 |
| 4.88 | QSARToolbox | 0 » -1 |
| 4.89 | OCHEM | 0 » -1 |
| 4.89 | IUPAC digitized pKa | 0 » -1 |
| 4.89 | Datawarrior | 0 » -1 |
| 4.90 | AttenGpKa training set | 0 » -1 |
| 4.90 | IUPAC digitized pKa | 0 » -1 |
| 4.90 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 4.90 | OCHEM | 0 » -1 |
| 4.90 | OCHEM | 0 » -1 |
| 4.90 | OCHEM | 0 » -1 |
| 4.90 | OCHEM | 0 » -1 |
| 4.90 | OCHEM | 0 » -1 |
| 4.90 | OCHEM | 0 » -1 |
| 4.90 | QSARToolbox | 0 » -1 |
| 4.90 | QSARToolbox | 0 » -1 |
| 4.90 | QSARToolbox | 0 » -1 |
| 4.90 | QSARToolbox | 0 » -1 |
| 4.91 | OCHEM | 0 » -1 |
| 4.91 | QSARToolbox | 0 » -1 |
| 4.91 | QSARToolbox | 0 » -1 |