SMILES:
Cc1cc(Br)ccc1S(C)(=O)=OMolecular Processing
Molecular formula
C8H9BrO2S
Molecular weight
249.13
Exact mass
247.9507
XLogP
2.16
TPSA
34.14
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
51.99
Supplementary Information
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