CC(=O)C1CCC(C)=CC1(C)C
SMILES: CC(=O)C1CCC(C)=CC1(C)C

Molecular Processing

Molecular formula
C11H18O
Molecular weight
166.26
Exact mass
166.1358
XLogP
2.96
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
12
Rings
1
Aromatic rings
0
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.727
Molar refractivity
50.94

Supplementary Information

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