SMILES:
CCCCCCCCCCC=Cc1cc(C=O)c(O)c(C=O)c1Molecular Processing
Molecular formula
C20H28O3
Molecular weight
316.44
Exact mass
316.2038
XLogP
5.56
TPSA
54.37
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
12
Heavy atoms
23
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
95.14
Supplementary Information
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