CCCc1cc2c(Cl)c(C#N)ccc2n1Cc1noc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1
SMILES: CCCc1cc2c(Cl)c(C#N)ccc2n1Cc1noc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1

Molecular Processing

Molecular formula
C23H15ClF6N4O
Molecular weight
512.84
Exact mass
512.0839
XLogP
7.25
TPSA
67.64
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
35
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.261
Molar refractivity
114.5

Supplementary Information

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