SMILES:
O=[N+]([O-])c1ccc(Oc2c(Br)cc(Br)cc2Br)cc1Molecular Processing
Molecular formula
C12H6Br3NO3
Molecular weight
451.9
Exact mass
448.7898
XLogP
5.67
TPSA
52.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
19
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0
Molar refractivity
82.71
Supplementary Information
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