SMILES:
COC(=O)c1ccccc1-c1ccc(C#N)cc1Molecular Processing
Molecular formula
C15H11NO2
Molecular weight
237.26
Exact mass
237.079
XLogP
3.01
TPSA
50.09
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
18
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.067
Molar refractivity
67.93
Supplementary Information
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