Molecule ID: mol13193
SMILES: OCC1CN2CCC1CC2
InChI: InChI=1S/C8H15NO/c10-6-8-5-9-3-1-7(8)2-4-9/h7-8,10H,1-6H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.56 | Datawarrior | 1 » 0 |
| 10.56 | OCHEM | 1 » 0 |
| 10.56 | AttenGpKa training set | 1 » 0 |
| 10.56 | QSARToolbox | 1 » 0 |