Molecule ID: mol22381
SMILES: CC(OC1CCCCC1)C(=O)O
InChI: InChI=1S/C9H16O3/c1-7(9(10)11)12-8-5-3-2-4-6-8/h7-8H,2-6H2,1H3,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.64 | OCHEM | 0 » -1 |
| 3.64 | AttenGpKa training set | 0 » -1 |
| 3.64 | QSARToolbox | 0 » -1 |
| 3.64 | QSARToolbox | 0 » -1 |