SMILES:
Cn1cc(Br)c(N)n1Molecular Processing
Molecular formula
C4H6BrN3
Molecular weight
176.02
Exact mass
174.9745
XLogP
0.76
TPSA
43.84
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
4
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
35.32
Supplementary Information
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