SMILES:
O=[N+]([O-])c1ccc([N+](=O)[O-])c(OCC=CCBr)c1Molecular Processing
Molecular formula
C10H9BrN2O5
Molecular weight
317.09
Exact mass
315.9695
XLogP
2.83
TPSA
95.51
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
18
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
68.18
Supplementary Information
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