Molecule ID: mol12907
SMILES: O=C(O)CC1CCCCC1
InChI: InChI=1S/C8H14O2/c9-8(10)6-7-4-2-1-3-5-7/h7H,1-6H2,(H,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.51 | OCHEM | 0 » -1 |
| 4.51 | OCHEM | 0 » -1 |
| 4.73 | AttenGpKa training set | 0 » -1 |
| 4.80 | Datawarrior | 0 » -1 |
| 4.80 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 4.80 | OCHEM | 0 » -1 |
| 4.80 | OCHEM | 0 » -1 |
| 4.80 | OCHEM | 0 » -1 |
| 4.80 | OCHEM | 0 » -1 |
| 4.80 | OCHEM | 0 » -1 |
| 4.80 | QSARToolbox | 0 » -1 |
| 4.80 | OCHEM | 0 » -1 |