Molecule ID: mol11268
SMILES: CC(C)(C)C(C)(CC(=O)O)CC(=O)O
InChI: InChI=1S/C10H18O4/c1-9(2,3)10(4,5-7(11)12)6-8(13)14/h5-6H2,1-4H3,(H,11,12)(H,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.61 | IUPAC digitized pKa | 0 » -1 |
| 3.61 | AttenGpKa training set | 0 » -1 |
| 7.49 | IUPAC digitized pKa | -1 » -2 |
| 7.49 | AttenGpKa training set | -1 » -2 |