Name: cyanotetralone
SMILES:
N#CC1CCc2ccccc2C1=OMolecular Processing
Molecular formula
C11H9NO
Molecular weight
171.2
Exact mass
171.0684
XLogP
1.96
TPSA
40.86
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
13
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
48.2
Supplementary Information
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