SMILES:
CCCCCCCCCCCCC1=C(O)C(=O)c2c(C)cccc2C1=OMolecular Processing
Molecular formula
C23H32O3
Molecular weight
356.51
Exact mass
356.2351
XLogP
6.5
TPSA
54.37
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
11
Heavy atoms
26
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.565
Molar refractivity
105.96
Supplementary Information
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