N#Cc1ccc2c(cc(C(F)F)n2Cc2noc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)c1C#N
SMILES: N#Cc1ccc2c(cc(C(F)F)n2Cc2noc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)c1C#N

Molecular Processing

Molecular formula
C22H9F8N5O
Molecular weight
511.33
Exact mass
511.0679
XLogP
6.46
TPSA
91.43
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
36
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
0.182
Molar refractivity
105.17

Supplementary Information

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