Molecule ID: mol776
SMILES: CCCc1cccc(CCC)c1O
InChI: InChI=1S/C12H18O/c1-3-6-10-8-5-9-11(7-4-2)12(10)13/h5,8-9,13H,3-4,6-7H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 11.25 | IUPAC digitized pKa | 0 » -1 |
| 11.25 | OCHEM | 0 » -1 |
| 11.25 | Hunt | 0 » -1 |
| 11.25 | OCHEM | 0 » -1 |
| 11.25 | QSARToolbox | 0 » -1 |