Molecule ID: mol14292
SMILES: CCCCCOc1ccc(C(=O)O)cc1
InChI: InChI=1S/C12H16O3/c1-2-3-4-9-15-11-7-5-10(6-8-11)12(13)14/h5-8H,2-4,9H2,1H3,(H,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.49 | QSARToolbox | 0 » -1 |
| 4.49 | QSARToolbox | 0 » -1 |
| 4.49 | OCHEM | 0 » -1 |
| 4.49 | Datawarrior | 0 » -1 |
| 4.55 | AttenGpKa training set | 0 » -1 |
| 4.55 | QSARToolbox | 0 » -1 |