Molecule ID: mol5201
SMILES: CN1CCC[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21
InChI: InChI=1S/C15H18N2/c1-17-7-3-5-11-12-4-2-6-13-15(12)10(9-16-13)8-14(11)17/h2,4,6,9,11,14,16H,3,5,7-8H2,1H3/t11-,14-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.85 | AttenGpKa training set | 1 » 0 |
| 8.87 | IUPAC digitized pKa | 1 » 0 |