Molecule ID: mol11253
SMILES: O=C(O)C1C2CCC(CC2)C1C(=O)O
InChI: InChI=1S/C10H14O4/c11-9(12)7-5-1-2-6(4-3-5)8(7)10(13)14/h5-8H,1-4H2,(H,11,12)(H,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.89 | IUPAC digitized pKa | 0 » -1 |
| 4.20 | OCHEM | 0 » -1 |
| 4.63 | IUPAC digitized pKa | 0 » -1 |
| 4.90 | QSARToolbox | -1 » -2 |
| 5.85 | OCHEM | -1 » -2 |
| 6.15 | QSARToolbox | -1 » -2 |
| 6.17 | IUPAC digitized pKa | -1 » -2 |
| 6.90 | IUPAC digitized pKa | -1 » -2 |