SMILES:
CS(=O)(=O)OCc1cc(Br)cnc1COS(C)(=O)=OMolecular Processing
Molecular formula
C9H12BrNO6S2
Molecular weight
374.23
Exact mass
372.9289
XLogP
0.8
TPSA
99.63
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
19
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.444
Molar refractivity
71.2
Supplementary Information
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