SMILES:
CC(=O)C=Cc1ccc(C#N)cc1Molecular Processing
Molecular formula
C11H9NO
Molecular weight
171.2
Exact mass
171.0684
XLogP
2.16
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
2
Covalent units
1
Fraction Csp3
0.091
Molar refractivity
50.87
Supplementary Information
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