SMILES:
CCCc1cc2c(Cl)c(C#N)ccc2n1Cc1noc(-c2cccc(C(F)(F)F)c2)n1Molecular Processing
Molecular formula
C22H16ClF3N4O
Molecular weight
444.84
Exact mass
444.0965
XLogP
6.24
TPSA
67.64
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
31
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.227
Molar refractivity
109.5
Supplementary Information
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