Molecule ID: mol13210
SMILES: CCCCOc1ccc(C(=O)O)cc1
InChI: InChI=1S/C11H14O3/c1-2-3-8-14-10-6-4-9(5-7-10)11(12)13/h4-7H,2-3,8H2,1H3,(H,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.48 | Datawarrior | 0 » -1 |
| 4.48 | OCHEM | 0 » -1 |
| 4.48 | QSARToolbox | 0 » -1 |
| 4.48 | QSARToolbox | 0 » -1 |
| 4.53 | AttenGpKa training set | 0 » -1 |
| 4.53 | QSARToolbox | 0 » -1 |