SMILES:
CCOC(=O)C(C#N)Cc1ccc(Cl)c(F)c1Molecular Processing
Molecular formula
C12H11ClFNO2
Molecular weight
255.68
Exact mass
255.0462
XLogP
2.72
TPSA
50.09
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
17
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
60.85
Supplementary Information
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