SMILES:
O=Cc1ccc(Br)nc1Molecular Processing
Molecular formula
C6H4BrNO
Molecular weight
186.01
Exact mass
184.9476
XLogP
1.66
TPSA
29.96
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
9
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
37.32
Supplementary Information
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