SMILES:
CC(=O)C(CCCCCCC(=O)O)CCCC(O)COc1cccc(C(F)(F)F)c1Molecular Processing
Molecular formula
C22H31F3O5
Molecular weight
432.48
Exact mass
432.2124
XLogP
5.25
TPSA
83.83
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
15
Heavy atoms
30
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.636
Molar refractivity
106.31
Supplementary Information
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