O=C(CC(=O)C(F)F)c1ccc(Br)s1
SMILES: O=C(CC(=O)C(F)F)c1ccc(Br)s1

Molecular Processing

Molecular formula
C8H5BrF2O2S
Molecular weight
283.09
Exact mass
281.9162
XLogP
2.92
TPSA
34.14
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
14
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
51.98

Supplementary Information

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