SMILES:
COc1cc(Br)ccc1-c1ccc(Br)cc1[N+](=O)[O-]Molecular Processing
Molecular formula
C13H9Br2NO3
Molecular weight
387.03
Exact mass
384.8949
XLogP
4.8
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
6
Covalent units
1
Fraction Csp3
0.077
Molar refractivity
80.48
Supplementary Information
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