SMILES:
O=c1ccc(Br)c[nH]1Molecular Processing
Molecular formula
C5H4BrNO
Molecular weight
174
Exact mass
172.9476
XLogP
1.14
TPSA
32.86
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
8
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0
Molar refractivity
34.76
Supplementary Information
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