Name: 6-(trifluoromethyl)-1,4-naphthoquinone
SMILES:
O=C1C=CC(=O)c2cc(C(F)(F)F)ccc21Molecular Processing
Molecular formula
C11H5F3O2
Molecular weight
226.15
Exact mass
226.0242
XLogP
2.64
TPSA
34.14
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
16
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.091
Molar refractivity
49.25
Supplementary Information
Details werden geladen…
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