SMILES:
CC(=O)OCCCCCC1CC2=CC(=O)CCC2C2C(F)CC3(C)C(=O)CCC3C12Molecular Processing
Molecular formula
C25H35FO4
Molecular weight
418.55
Exact mass
418.2519
XLogP
4.99
TPSA
60.44
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
30
Rings
4
Aromatic rings
0
Saturated rings
3
Aliphatic rings
4
Stereo centers
7
Undefined stereo
7
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.8
Molar refractivity
111.35
Supplementary Information
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