SMILES:
CCCCCCCCCCCC1CC(OC(=O)c2ccccc2)C(CCCCCC)C(=O)O1Molecular Processing
Molecular formula
C29H46O4
Molecular weight
458.68
Exact mass
458.3396
XLogP
8.04
TPSA
52.6
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
17
Heavy atoms
33
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.724
Molar refractivity
134.24
Supplementary Information
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