SMILES:
O=S(=O)(O)c1cc(Br)cc2cnccc12Molecular Processing
Molecular formula
C9H6BrNO3S
Molecular weight
288.12
Exact mass
286.9252
XLogP
2.24
TPSA
67.26
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
15
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0
Molar refractivity
59.26
Supplementary Information
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