SMILES:
CCC(=O)C(CCC(=CCCc1ccc2c(c1)OCO2)CC)C(C)=OMolecular Processing
Molecular formula
C21H28O4
Molecular weight
344.45
Exact mass
344.1988
XLogP
4.65
TPSA
52.6
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
10
Heavy atoms
25
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.524
Molar refractivity
97.96
Supplementary Information
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