SMILES:
O=C(O)COc1ccc(C=CC(=O)C(F)(F)F)cc1Molecular Processing
Molecular formula
C12H9F3O4
Molecular weight
274.19
Exact mass
274.0453
XLogP
2.29
TPSA
63.6
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
19
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
0.167
Molar refractivity
59.67
Supplementary Information
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