Molecule ID: mol22619
SMILES: CC1CCCCC1(CC(=O)O)CC(=O)O
InChI: InChI=1S/C11H18O4/c1-8-4-2-3-5-11(8,6-9(12)13)7-10(14)15/h8H,2-7H2,1H3,(H,12,13)(H,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.53 | QSARToolbox | 0 » -1 |
| 3.53 | QSARToolbox | 0 » -1 |
| 3.53 | QSARToolbox | 0 » -1 |
| 3.53 | AttenGpKa training set | 0 » -1 |
| 3.83 | OCHEM | -1 » -2 |
| 6.89 | QSARToolbox | -1 » -2 |
| 6.89 | AttenGpKa training set | -1 » -2 |