SMILES:
N#Cc1cc(CBr)co1Molecular Processing
Molecular formula
C6H4BrNO
Molecular weight
186.01
Exact mass
184.9476
XLogP
2.05
TPSA
36.93
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
0.167
Molar refractivity
36.05
Supplementary Information
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