Molecule ID: mol22341
SMILES: O=C(O)COC1CCCCC1
InChI: InChI=1S/C8H14O3/c9-8(10)6-11-7-4-2-1-3-5-7/h7H,1-6H2,(H,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.54 | QSARToolbox | 0 » -1 |
| 3.54 | QSARToolbox | 0 » -1 |
| 3.54 | OCHEM | 0 » -1 |
| 3.54 | AttenGpKa training set | 0 » -1 |