Molecule ID: mol2581
SMILES: CCCC(CCC)C(=O)O
InChI: InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.60 | QSARToolbox | 0 » -1 |
| 4.60 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 4.60 | OCHEM | 0 » -1 |
| 4.60 | OCHEM | 0 » -1 |
| 4.60 | OCHEM | 0 » -1 |
| 4.60 | Hunt | 0 » -1 |
| 4.60 | OCHEM | 0 » -1 |
| 4.60 | OCHEM | 0 » -1 |
| 4.60 | OCHEM | 0 » -1 |
| 4.80 | Baltruschat ChEMBL | 0 » -1 |
| 4.90 | OCHEM | 0 » -1 |
| 4.95 | OCHEM | 0 » -1 |