CC(=O)Oc1ccc(C=Cc2cnc(OCCOCCOCCF)c(Br)c2)cc1
SMILES: CC(=O)Oc1ccc(C=Cc2cnc(OCCOCCOCCF)c(Br)c2)cc1

Molecular Processing

Molecular formula
C21H23BrFNO5
Molecular weight
468.32
Exact mass
467.0744
XLogP
4.32
TPSA
66.88
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
12
Heavy atoms
29
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
111.72

Supplementary Information

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