COC(=O)C(Oc1cccc(C(F)(F)F)c1)c1ccc(OCC(C)Oc2ccc(C(F)(F)F)cc2)cc1
SMILES: COC(=O)C(Oc1cccc(C(F)(F)F)c1)c1ccc(OCC(C)Oc2ccc(C(F)(F)F)cc2)cc1

Molecular Processing

Molecular formula
C26H22F6O5
Molecular weight
528.45
Exact mass
528.1371
XLogP
6.86
TPSA
53.99
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
9
Heavy atoms
37
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.269
Molar refractivity
120.3

Supplementary Information

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