Название: 5-(4-{5-[2-(Trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl}bicyclo[2.2.2]oct-1-yl)pentan-2-one
SMILES:
CC(=O)CCCC12CCC(c3nnc(-c4ccccc4C(F)(F)F)o3)(CC1)CC2Molecular Processing
Molecular formula
C22H25F3N2O2
Molecular weight
406.45
Exact mass
406.1868
XLogP
6.11
TPSA
55.99
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
29
Rings
5
Aromatic rings
2
Saturated rings
3
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.591
Molar refractivity
101.08
Supplementary Information
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