SMILES:
Nc1n[nH]c2ccnc(Br)c12Molecular Processing
Molecular formula
C6H5BrN4
Molecular weight
213.04
Exact mass
211.9698
XLogP
1.3
TPSA
67.59
H-bond donors
2
H-bond acceptors
3
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
46
Supplementary Information
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