SMILES:
CCOC(=O)C1=Cc2cc(OC(F)(F)F)cc(C#Cc3ccccc3)c2OC1C(F)(F)FMolecular Processing
Molecular formula
C22H14F6O4
Molecular weight
456.34
Exact mass
456.0796
XLogP
5.25
TPSA
44.76
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
32
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.227
Molar refractivity
100.63
Supplementary Information
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