SMILES:
Brc1cnc2[nH]ccc2n1Molecular Processing
Molecular formula
C6H4BrN3
Molecular weight
198.02
Exact mass
196.9589
XLogP
1.72
TPSA
41.57
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
10
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0
Molar refractivity
41.59
Supplementary Information
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