SMILES:
N#CCC(=O)c1cc(F)cc(F)c1Molecular Processing
Molecular formula
C9H5F2NO
Molecular weight
181.14
Exact mass
181.0339
XLogP
2.06
TPSA
40.86
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.111
Molar refractivity
40.92
Supplementary Information
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