Molecule ID: mol10449
SMILES: O=C(O)C12CCC(CC1)C2
InChI: InChI=1S/C8H12O2/c9-7(10)8-3-1-6(5-8)2-4-8/h6H,1-5H2,(H,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.68 | QSARToolbox | 0 » -1 |
| 4.68 | QSARToolbox | 0 » -1 |
| 4.88 | IUPAC digitized pKa | 0 » -1 |
| 4.89 | QSARToolbox | 0 » -1 |
| 4.89 | OCHEM | 0 » -1 |
| 4.89 | IUPAC digitized pKa | 0 » -1 |
| 4.89 | Datawarrior | 0 » -1 |