Molecule ID: mol11675
SMILES: CC(CCCC(=O)O)c1ccccc1
InChI: InChI=1S/C12H16O2/c1-10(6-5-9-12(13)14)11-7-3-2-4-8-11/h2-4,7-8,10H,5-6,9H2,1H3,(H,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.80 | IUPAC digitized pKa | 0 » -1 |
| 4.80 | OCHEM | 0 » -1 |
| 4.80 | QSARToolbox | 0 » -1 |
| 4.80 | QSARToolbox | 0 » -1 |