Name: 1-(4-fluorophenyl)but-2-en-1-one
SMILES:
CC=CC(=O)c1ccc(F)cc1Molecular Processing
Molecular formula
C10H9FO
Molecular weight
164.18
Exact mass
164.0637
XLogP
2.58
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
2
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.1
Molar refractivity
45.54
Supplementary Information
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