Molecule ID: mol12815
SMILES: CC(=O)OC1CN2CCC1CC2
InChI: InChI=1S/C9H15NO2/c1-7(11)12-9-6-10-4-2-8(9)3-5-10/h8-9H,2-6H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.27 | Datawarrior | 1 » 0 |
| 9.27 | AttenGpKa training set | 1 » 0 |
| 9.27 | QSARToolbox | 1 » 0 |
| 9.27 | OCHEM | 1 » 0 |