SMILES:
CCOC(=O)C(C#N)=Cc1ccc(Cl)c(F)c1Molecular Processing
Molecular formula
C12H9ClFNO2
Molecular weight
253.66
Exact mass
253.0306
XLogP
2.95
TPSA
50.09
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
17
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
61.63
Supplementary Information
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