O=S(=O)(NC(CO)CO)c1ccc(Br)s1
SMILES: O=S(=O)(NC(CO)CO)c1ccc(Br)s1

Molecular Processing

Molecular formula
C7H10BrNO4S2
Molecular weight
316.2
Exact mass
314.9235
XLogP
0.14
TPSA
86.63
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
15
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
60.3

Supplementary Information

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