Molecule ID: mol13354
SMILES: O=C(O)C1CCCc2ccccc2O1
InChI: InChI=1S/C11H12O3/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)14-10/h1-2,4,6,10H,3,5,7H2,(H,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.63 | Datawarrior | 0 » -1 |
| 3.63 | OCHEM | 0 » -1 |
| 3.63 | QSARToolbox | 0 » -1 |
| 3.63 | QSARToolbox | 0 » -1 |