Molecule ID: mol2057
SMILES: CCCCOc1cccc(C(=O)O)c1
InChI: InChI=1S/C11H14O3/c1-2-3-7-14-10-6-4-5-9(8-10)11(12)13/h4-6,8H,2-3,7H2,1H3,(H,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.25 | Datawarrior | 0 » -1 |
| 4.25 | OCHEM | 0 » -1 |
| 4.25 | OCHEM | 0 » -1 |
| 4.25 | Hunt | 0 » -1 |
| 4.25 | OCHEM | 0 » -1 |
| 4.25 | QSARToolbox | 0 » -1 |
| 4.25 | QSARToolbox | 0 » -1 |
| 4.25 | QSARToolbox | 0 » -1 |
| 4.25 | AttenGpKa training set | 0 » -1 |