SMILES:
Nc1ccc(Br)c2nonc12Molecular Processing
Molecular formula
C6H4BrN3O
Molecular weight
214.02
Exact mass
212.9538
XLogP
1.57
TPSA
64.94
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
0
Heavy atoms
11
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0
Molar refractivity
43.92
Supplementary Information
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