SMILES:
O=C(O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1Molecular Processing
Molecular formula
C9H4F6O2
Molecular weight
258.12
Exact mass
258.0115
XLogP
3.42
TPSA
37.3
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
17
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
0.222
Molar refractivity
43.41
Supplementary Information
Details werden geladen…
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