Molecule ID: mol11520
SMILES: CC(CCC(=O)O)c1ccccc1
InChI: InChI=1S/C11H14O2/c1-9(7-8-11(12)13)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.70 | QSARToolbox | 0 » -1 |
| 4.70 | QSARToolbox | 0 » -1 |
| 4.70 | IUPAC digitized pKa | 0 » -1 |
| 4.70 | OCHEM | 0 » -1 |