名称: (4-trifluoromethylsulfonyloxyphenyl)(2,3-dihydro-2,2-dimethylbenzofuran-5-yl) ketone
SMILES:
CC1(C)Cc2cc(C(=O)c3ccc(OS(=O)(=O)C(F)(F)F)cc3)ccc2O1Molecular Processing
Molecular formula
C18H15F3O5S
Molecular weight
400.37
Exact mass
400.0592
XLogP
3.86
TPSA
69.67
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
27
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.278
Molar refractivity
90.33
Supplementary Information
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