CC(=O)OC1CSC(Br)C(OC(C)=O)C1OC(C)=O
SMILES: CC(=O)OC1CSC(Br)C(OC(C)=O)C1OC(C)=O

Molecular Processing

Molecular formula
C11H15BrO6S
Molecular weight
355.21
Exact mass
353.9773
XLogP
1.25
TPSA
78.9
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
3
Heavy atoms
19
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.727
Molar refractivity
71.84

Supplementary Information

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