SMILES:
CCc1nc2c(Cl)c(C#N)ccc2n1Cc1noc(-c2cccc(C(F)(F)F)c2)n1Molecular Processing
Molecular formula
C20H13ClF3N5O
Molecular weight
431.81
Exact mass
431.0761
XLogP
5.24
TPSA
80.53
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
30
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
102.67
Supplementary Information
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