Molecule ID: mol18553
SMILES: CCCCCCCCC(=O)O
InChI: InChI=1S/C9H18O2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.77 | AttenGpKa training set | 0 » -1 |
| 4.90 | OCHEM | 0 » -1 |
| 4.90 | Baltruschat ChEMBL | 0 » -1 |
| 4.95 | QSARToolbox | 0 » -1 |
| 4.95 | QSARToolbox | 0 » -1 |
| 4.95 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 4.95 | OCHEM | 0 » -1 |
| 4.95 | OCHEM | 0 » -1 |
| 4.95 | OCHEM | 0 » -1 |
| 4.96 | QSARToolbox | 0 » -1 |