SMILES:
CCCCCC(=O)OCC(=O)C1C(C)CC2C3=C(C(O)CC21C)C1(C)C=CC(=O)C=C1C(F)C3Molecular Processing
Molecular formula
C28H37FO5
Molecular weight
472.6
Exact mass
472.2625
XLogP
4.83
TPSA
80.67
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
34
Rings
4
Aromatic rings
0
Saturated rings
1
Aliphatic rings
4
Stereo centers
7
Undefined stereo
7
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.679
Molar refractivity
126.48
Supplementary Information
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