SMILES:
COC(=O)Cc1ccc(-c2ncn(-c3ccc(OC(F)(F)C(F)(F)F)cc3)n2)cc1Molecular Processing
Molecular formula
C19H14F5N3O3
Molecular weight
427.33
Exact mass
427.0955
XLogP
4.18
TPSA
66.24
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
30
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.211
Molar refractivity
94.14
Supplementary Information
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