Molecule ID: mol14096
SMILES: O=C(O)CCC1CCCCC1
InChI: InChI=1S/C9H16O2/c10-9(11)7-6-8-4-2-1-3-5-8/h8H,1-7H2,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.89 | AttenGpKa training set | 0 » -1 |
| 4.91 | OCHEM | 0 » -1 |
| 4.91 | QSARToolbox | 0 » -1 |
| 4.91 | QSARToolbox | 0 » -1 |
| 4.91 | Datawarrior | 0 » -1 |
| 4.91 | OCHEM | 0 » -1 |
| 4.91 | OCHEM | 0 » -1 |
| 4.91 | OCHEM | 0 » -1 |