Molecule ID: mol780
SMILES: CCCCCCCCCCCC(=O)O
InChI: InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.85 | AttenGpKa training set | 0 » -1 |
| 4.89 | OCHEM | 0 » -1 |
| 4.89 | Datawarrior | 0 » -1 |
| 4.90 | OCHEM | 0 » -1 |
| 4.90 | Baltruschat ChEMBL | 0 » -1 |
| 5.30 | IUPAC digitized pKa | 0 » -1 |
| 5.30 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 5.30 | OCHEM | 0 » -1 |
| 5.30 | Hunt | 0 » -1 |
| 5.30 | OCHEM | 0 » -1 |
| 5.30 | QSARToolbox | 0 » -1 |
| 5.31 | QSARToolbox | 0 » -1 |
| 5.31 | QSARToolbox | 0 » -1 |