SMILES:
CCOC(=O)c1cnc(Br)s1Molecular Processing
Molecular formula
C6H6BrNO2S
Molecular weight
236.09
Exact mass
234.9303
XLogP
2.08
TPSA
39.19
H-bond donors
0
H-bond acceptors
4
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
5
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
45.77
Supplementary Information
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