이름: 3-fluoro-4-iodobenzonitrile
SMILES:
N#Cc1ccc(I)c(F)c1Molecular Processing
Molecular formula
C7H3FIN
Molecular weight
247.01
Exact mass
246.9294
XLogP
2.3
TPSA
23.79
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
10
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0
Molar refractivity
43.83
Supplementary Information
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