Molecule ID: mol19770
SMILES: CN(C(=O)N1CC(c2cc(F)ccc2F)=C[C@@]1(CO)c1ccccc1)C1CCN(C2CC2)CC1
InChI: InChI=1S/C27H31F2N3O2/c1-30(22-11-13-31(14-12-22)23-8-9-23)26(34)32-17-19(24-15-21(28)7-10-25(24)29)16-27(32,18-33)20-5-3-2-4-6-20/h2-7,10,15-16,22-23,33H,8-9,11-14,17-18H2,1H3/t27-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.50 | Baltruschat ChEMBL | 1 » 0 |