Nom: 1-(3-cyanophenyl)acetone
SMILES:
CC(=O)Cc1cccc(C#N)c1Molecular Processing
Molecular formula
C10H9NO
Molecular weight
159.19
Exact mass
159.0684
XLogP
1.69
TPSA
40.86
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
12
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
0.2
Molar refractivity
45.54
Supplementary Information
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