SMILES:
CCCCCCCCCCCCC1=C(OC(C)=O)C(=O)c2c(C)cccc2C1=OMolecular Processing
Molecular formula
C25H34O4
Molecular weight
398.54
Exact mass
398.2457
XLogP
6.5
TPSA
60.44
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
12
Heavy atoms
29
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.56
Molar refractivity
115.09
Supplementary Information
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