Molecule ID: mol14091
SMILES: O=C(O)C1(C(=O)O)CCCC1
InChI: InChI=1S/C7H10O4/c8-5(9)7(6(10)11)3-1-2-4-7/h1-4H2,(H,8,9)(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.23 | OCHEM | 0 » -1 |
| 3.23 | OCHEM | 0 » -1 |
| 3.23 | QSARToolbox | 0 » -1 |
| 3.23 | QSARToolbox | 0 » -1 |
| 3.23 | QSARToolbox | 0 » -1 |
| 3.24 | Datawarrior | 0 » -1 |
| 3.24 | OCHEM | 0 » -1 |
| 3.53 | OCHEM | 0 » -1 |
| 4.80 | QSARToolbox | -1 » -2 |
| 6.08 | QSARToolbox | -1 » -2 |
| 6.08 | QSARToolbox | -1 » -2 |
| 6.08 | Datawarrior | -1 » -2 |