Molecule ID: mol19722
SMILES: c1cnc2c(c1)C[C@@]1(CN3CCC1CC3)O2
InChI: InChI=1S/C13H16N2O/c1-2-10-8-13(16-12(10)14-5-1)9-15-6-3-11(13)4-7-15/h1-2,5,11H,3-4,6-9H2/t13-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.90 | OCHEM | 1 » 0 |
| 8.90 | Baltruschat ChEMBL | 1 » 0 |