SMILES:
Nc1ccc(C(F)(F)F)c(C(F)(F)F)c1Molecular Processing
Molecular formula
C8H5F6N
Molecular weight
229.12
Exact mass
229.0326
XLogP
3.31
TPSA
26.02
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
15
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
40.86
Supplementary Information
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