SMILES:
COC(=O)C1CCCC2(CCCCC2)C1=OMolecular Processing
Molecular formula
C13H20O3
Molecular weight
224.3
Exact mass
224.1412
XLogP
2.48
TPSA
43.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
16
Rings
2
Aromatic rings
0
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.846
Molar refractivity
59.88
Supplementary Information
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