Molecule ID: mol12916
SMILES: CC1(C(=O)O)CCCCC1
InChI: InChI=1S/C8H14O2/c1-8(7(9)10)5-3-2-4-6-8/h2-6H2,1H3,(H,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.13 | Datawarrior | 0 » -1 |
| 5.13 | OCHEM | 0 » -1 |
| 5.13 | OCHEM | 0 » -1 |
| 5.13 | OCHEM | 0 » -1 |
| 5.13 | OCHEM | 0 » -1 |
| 5.13 | QSARToolbox | 0 » -1 |
| 5.13 | QSARToolbox | 0 » -1 |
| 5.13 | QSARToolbox | 0 » -1 |
| 5.16 | AttenGpKa training set | 0 » -1 |