Molecule ID: mol13855
SMILES: CCCOC(=O)c1ccc(O)cc1
InChI: InChI=1S/C10H12O3/c1-2-7-13-10(12)8-3-5-9(11)6-4-8/h3-6,11H,2,7H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.91 | QSARToolbox | 0 » -1 |
| 8.16 | AttenGpKa training set | 0 » -1 |
| 8.30 | Datawarrior | 0 » -1 |
| 8.30 | OCHEM | 0 » -1 |