Name: ester
SMILES:
CCCCCCCCCCOc1ccc(C(=O)Oc2ccc(C(=O)OCc3ccccc3)cc2)cc1Molecular Processing
Molecular formula
C31H36O5
Molecular weight
488.62
Exact mass
488.2563
XLogP
7.78
TPSA
61.83
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
15
Heavy atoms
36
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.355
Molar refractivity
141.51
Supplementary Information
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