Molecule ID: mol10910
SMILES: O=C(O)C12CCC(CC1)CC2
InChI: InChI=1S/C9H14O2/c10-8(11)9-4-1-7(2-5-9)3-6-9/h7H,1-6H2,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.08 | AttenGpKa training set | 0 » -1 |
| 5.08 | IUPAC digitized pKa | 0 » -1 |
| 6.75 | QSARToolbox | 0 » -1 |