Molecule ID: mol22382
SMILES: O=C(O)COCC1CCCCC1
InChI: InChI=1S/C9H16O3/c10-9(11)7-12-6-8-4-2-1-3-5-8/h8H,1-7H2,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.90 | OCHEM | 0 » -1 |
| 3.90 | AttenGpKa training set | 0 » -1 |
| 3.90 | QSARToolbox | 0 » -1 |
| 3.90 | QSARToolbox | 0 » -1 |