CC(=O)c1ccc(Cn2ncc(NC(=O)c3ncoc3-c3cccc(C(F)(F)F)c3)n2)o1
SMILES: CC(=O)c1ccc(Cn2ncc(NC(=O)c3ncoc3-c3cccc(C(F)(F)F)c3)n2)o1

Molecular Processing

Molecular formula
C20H14F3N5O4
Molecular weight
445.36
Exact mass
445.0998
XLogP
4.05
TPSA
116.05
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
32
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
0.15
Molar refractivity
102.73

Supplementary Information

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