C[C@H]1[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)OC(=O)N1Cc1cc(C(F)(F)F)ccc1Br
SMILES: C[C@H]1[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)OC(=O)N1Cc1cc(C(F)(F)F)ccc1Br

Molecular Processing

Molecular formula
C20H13BrF9NO2
Molecular weight
550.22
Exact mass
548.9986
XLogP
7.59
TPSA
29.54
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
33
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.35
Molar refractivity
99.82

Supplementary Information

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