Molecule ID: mol22602
SMILES: CC1CCC(CC(=O)O)(CC(=O)O)C1
InChI: InChI=1S/C10H16O4/c1-7-2-3-10(4-7,5-8(11)12)6-9(13)14/h7H,2-6H2,1H3,(H,11,12)(H,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.79 | QSARToolbox | 0 » -1 |
| 3.79 | QSARToolbox | 0 » -1 |
| 3.79 | QSARToolbox | 0 » -1 |
| 3.79 | AttenGpKa training set | 0 » -1 |
| 4.40 | OCHEM | -1 » -2 |
| 6.74 | QSARToolbox | -1 » -2 |
| 6.74 | AttenGpKa training set | -1 » -2 |