SMILES:
CSc1ccc(Br)cc1[N+](=O)[O-]Molecular Processing
Molecular formula
C7H6BrNO2S
Molecular weight
248.1
Exact mass
246.9303
XLogP
3.08
TPSA
43.14
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
52.58
Supplementary Information
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