SMILES:
O=C(Nc1ccc([N+](=O)[O-])cc1O)Nc1ccc(Br)cc1BrMolecular Processing
Molecular formula
C13H9Br2N3O4
Molecular weight
431.04
Exact mass
428.896
XLogP
4.47
TPSA
104.5
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
22
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0
Molar refractivity
89.24
Supplementary Information
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