SMILES:
COC(=O)C1CCC(c2ccccc2)CC1Molecular Processing
Molecular formula
C14H18O2
Molecular weight
218.3
Exact mass
218.1307
XLogP
3.13
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
16
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
0.5
Molar refractivity
63.16
Supplementary Information
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