Molecule ID: mol839
SMILES: CCCc1cc(CCC)c(O)c(CCC)c1
InChI: InChI=1S/C15H24O/c1-4-7-12-10-13(8-5-2)15(16)14(11-12)9-6-3/h10-11,16H,4-9H2,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 11.47 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 11.59 | IUPAC digitized pKa | 0 » -1 |
| 11.59 | Hunt | 0 » -1 |
| 11.59 | OCHEM | 0 » -1 |
| 11.59 | QSARToolbox | 0 » -1 |