Molecule ID: mol248
SMILES: F[C@@H]1CNCC[C@H]1Cc1ccccc1
InChI: InChI=1S/C12H16FN/c13-12-9-14-7-6-11(12)8-10-4-2-1-3-5-10/h1-5,11-12,14H,6-9H2/t11-,12+/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.80 | OCHEM | 1 » 0 |
| 8.80 | AvLiLuMoVe | 1 » 0 |
| 8.80 | Settimo | 1 » 0 |
| 8.80 | AttenGpKa training set | 1 » 0 |