Molecule ID: mol33005
SMILES: CC1CCCC(OCC(=O)O)C1
InChI: InChI=1S/C9H16O3/c1-7-3-2-4-8(5-7)12-6-9(10)11/h7-8H,2-6H2,1H3,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.81 | QSARToolbox | 0 » -1 |
| 3.81 | QSARToolbox | 0 » -1 |
| 3.81 | OCHEM | 0 » -1 |