SMILES:
Nc1ccnc(Br)c1Molecular Processing
Molecular formula
C5H5BrN2
Molecular weight
173.01
Exact mass
171.9636
XLogP
1.43
TPSA
38.91
H-bond donors
1
H-bond acceptors
2
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
36.35
Supplementary Information
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