Molecule ID: mol10913
SMILES: CCOC(=O)C1CCCCC1=O
InChI: InChI=1S/C9H14O3/c1-2-12-9(11)7-5-3-4-6-8(7)10/h7H,2-6H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.90 | QSARToolbox | 0 » -1 |
| 10.94 | QSARToolbox | 0 » -1 |
| 10.94 | IUPAC digitized pKa | 0 » -1 |
| 11.23 | AttenGpKa training set | 0 » -1 |
| 11.90 | Datawarrior | 0 » -1 |
| 11.90 | OCHEM | 0 » -1 |