Name: 4-benzyl-cyclohexanone
SMILES:
O=C1CCC(Cc2ccccc2)CC1Molecular Processing
Molecular formula
C13H16O
Molecular weight
188.27
Exact mass
188.1201
XLogP
2.99
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
2
Heavy atoms
14
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
57.11
Supplementary Information
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