SMILES:
CCCc1cc2c(C(F)(F)F)c(C#N)ccc2n1Cc1noc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1Molecular Processing
Molecular formula
C24H15F9N4O
Molecular weight
546.39
Exact mass
546.1102
XLogP
7.62
TPSA
67.64
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
38
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.292
Molar refractivity
114.49
Supplementary Information
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