SMILES:
CCOC(=O)c1ccc(Br)s1Molecular Processing
Molecular formula
C7H7BrO2S
Molecular weight
235.1
Exact mass
233.935
XLogP
2.69
TPSA
26.3
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
11
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
0.286
Molar refractivity
47.98
Supplementary Information
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