SMILES:
CCCCCCCCCC(=O)C=CC(=O)OMolecular Processing
Molecular formula
C13H22O3
Molecular weight
226.32
Exact mass
226.1569
XLogP
3.34
TPSA
54.37
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
10
Heavy atoms
16
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.692
Molar refractivity
64.39
Supplementary Information
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