Molecule ID: mol10022
SMILES: CCCCCCC(=O)O
InChI: InChI=1S/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.79 | IUPAC digitized pKa | 0 » -1 |
| 4.80 | IUPAC digitized pKa | 0 » -1 |
| 4.80 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 4.80 | QSARToolbox | 0 » -1 |
| 4.85 | QSARToolbox | 0 » -1 |
| 4.85 | QSARToolbox | 0 » -1 |
| 4.86 | Datawarrior | 0 » -1 |
| 4.86 | OCHEM | 0 » -1 |
| 4.87 | OCHEM | 0 » -1 |
| 4.88 | IUPAC digitized pKa | 0 » -1 |
| 4.89 | QSARToolbox | 0 » -1 |
| 4.89 | QSARToolbox | 0 » -1 |
| 4.89 | QSARToolbox | 0 » -1 |
| 4.89 | OCHEM | 0 » -1 |
| 4.89 | OCHEM | 0 » -1 |
| 4.90 | OCHEM | 0 » -1 |
| 4.90 | Baltruschat ChEMBL | 0 » -1 |