SMILES:
CC(=O)c1ccnc(Br)c1Molecular Processing
Molecular formula
C7H6BrNO
Molecular weight
200.03
Exact mass
198.9633
XLogP
2.05
TPSA
29.96
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
10
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
0.143
Molar refractivity
41.94
Supplementary Information
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