名称: 1-(fluoromethyl)-3-oxocyclobutanecarbonitrile
SMILES:
N#CC1(CF)CC(=O)C1Molecular Processing
Molecular formula
C6H6FNO
Molecular weight
127.12
Exact mass
127.0433
XLogP
0.83
TPSA
40.86
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
9
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
28.26
Supplementary Information
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