Molecule ID: mol10007
SMILES: O=C(O)C1CCCCC1O
InChI: InChI=1S/C7H12O3/c8-6-4-2-1-3-5(6)7(9)10/h5-6,8H,1-4H2,(H,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.00 | IUPAC digitized pKa | 0 » -1 |
| 4.68 | QSARToolbox | 0 » -1 |
| 4.68 | QSARToolbox | 0 » -1 |
| 4.68 | QSARToolbox | 0 » -1 |
| 4.68 | OCHEM | 0 » -1 |
| 4.74 | OCHEM | 0 » -1 |
| 4.80 | QSARToolbox | 0 » -1 |