SMILES:
COC(=O)C(C#N)=Cc1ccccc1CMolecular Processing
Molecular formula
C12H11NO2
Molecular weight
201.23
Exact mass
201.079
XLogP
2.08
TPSA
50.09
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
15
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
0.167
Molar refractivity
56.79
Supplementary Information
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