SMILES:
Cn1cc(Br)c(-c2cccc(Nc3cc(C(F)(F)F)nc(-c4cccnc4)n3)c2)n1Molecular Processing
Molecular formula
C20H14BrF3N6
Molecular weight
475.27
Exact mass
474.0415
XLogP
5.46
TPSA
68.52
H-bond donors
1
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
0.1
Molar refractivity
109.89
Supplementary Information
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