Molecule ID: mol13189
SMILES: CC1=CCN2CC[C@@H](O)[C@@H]12
InChI: InChI=1S/C8H13NO/c1-6-2-4-9-5-3-7(10)8(6)9/h2,7-8,10H,3-5H2,1H3/t7-,8-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.55 | AttenGpKa training set | 1 » 0 |
| 9.60 | Datawarrior | 1 » 0 |
| 9.60 | QSARToolbox | 1 » 0 |