Molecule ID: mol32974
SMILES: CCC(C(=O)O)C(CC)(CC)C(=O)O
InChI: InChI=1S/C10H18O4/c1-4-7(8(11)12)10(5-2,6-3)9(13)14/h7H,4-6H2,1-3H3,(H,11,12)(H,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.74 | QSARToolbox | 0 » -1 |
| 2.74 | QSARToolbox | 0 » -1 |
| 2.74 | QSARToolbox | 0 » -1 |
| 4.00 | OCHEM | 0 » -1 |
| 4.00 | OCHEM | 0 » -1 |