Molecule ID: mol52
SMILES: C#CCN(C)[C@H](C)Cc1ccc(F)cc1
InChI: InChI=1S/C13H16FN/c1-4-9-15(3)11(2)10-12-5-7-13(14)8-6-12/h1,5-8,11H,9-10H2,2-3H3/t11-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.42 | OCHEM | 1 » 0 |
| 7.42 | AvLiLuMoVe | 1 » 0 |
| 7.42 | Settimo | 1 » 0 |