SMILES:
Nc1ccc(OC(F)F)c(F)c1Molecular Processing
Molecular formula
C7H6F3NO
Molecular weight
177.12
Exact mass
177.0401
XLogP
2.01
TPSA
35.25
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
37.44
Supplementary Information
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