Molecule ID: mol32992
SMILES: CC1(C(=O)O)CCC(C(=O)O)C1(C)C
InChI: InChI=1S/C10H16O4/c1-9(2)6(7(11)12)4-5-10(9,3)8(13)14/h6H,4-5H2,1-3H3,(H,11,12)(H,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.70 | QSARToolbox | -1 » -2 |
| 5.01 | OCHEM | -1 » -2 |
| 5.01 | OCHEM | -1 » -2 |
| 5.53 | OCHEM | -1 » -2 |
| 5.53 | OCHEM | -1 » -2 |