Molecule ID: mol31683
SMILES: O=C(O)C1(C(=O)O)CCCCC1
InChI: InChI=1S/C8H12O4/c9-6(10)8(7(11)12)4-2-1-3-5-8/h1-5H2,(H,9,10)(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.45 | OCHEM | 0 » -1 |
| 3.45 | OCHEM | 0 » -1 |
| 3.45 | QSARToolbox | 0 » -1 |
| 3.45 | QSARToolbox | 0 » -1 |
| 3.45 | QSARToolbox | 0 » -1 |
| 3.50 | QSARToolbox | 0 » -1 |
| 3.75 | OCHEM | 0 » -1 |
| 4.11 | QSARToolbox | 0 » -1 |