SMILES:
O=C1COCC(c2cccc(Br)c2)(C(F)(F)F)N1Molecular Processing
Molecular formula
C11H9BrF3NO2
Molecular weight
324.1
Exact mass
322.9769
XLogP
2.35
TPSA
38.33
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
18
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
60.84
Supplementary Information
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