Name: 4-(4-isopropylphenoxy)-1-cyclohexanone
SMILES:
CC(C)c1ccc(OC2CCC(=O)CC2)cc1Molecular Processing
Molecular formula
C15H20O2
Molecular weight
232.32
Exact mass
232.1463
XLogP
3.7
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
17
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.533
Molar refractivity
68.42
Supplementary Information
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