Molecule ID: mol32976
SMILES: CCCC(CC)(CC(=O)O)CC(=O)O
InChI: InChI=1S/C10H18O4/c1-3-5-10(4-2,6-8(11)12)7-9(13)14/h3-7H2,1-2H3,(H,11,12)(H,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.51 | QSARToolbox | 0 » -1 |
| 3.51 | QSARToolbox | 0 » -1 |
| 3.51 | QSARToolbox | 0 » -1 |
| 4.20 | OCHEM | -1 » -2 |