SMILES:
CNc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1Molecular Processing
Molecular formula
C10H9F6NO
Molecular weight
273.18
Exact mass
273.0588
XLogP
3.04
TPSA
32.26
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
18
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
52
Supplementary Information
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