SMILES:
COc1ccc(OCCCN(CC(F)(F)F)c2ccc(C#N)c(C(F)(F)F)c2)cc1Molecular Processing
Molecular formula
C20H18F6N2O2
Molecular weight
432.36
Exact mass
432.1272
XLogP
5.42
TPSA
45.49
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
8
Heavy atoms
30
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.35
Molar refractivity
97.53
Supplementary Information
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