SMILES:
[N-]=[N+]=CC(=O)COc1ccccc1Oc1cc(Oc2ccc(Cl)cc2Cl)ccc1[N+](=O)[O-]Molecular Processing
Molecular formula
C21H13Cl2N3O6
Molecular weight
474.26
Exact mass
473.0181
XLogP
5.73
TPSA
124.3
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
9
Heavy atoms
32
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.048
Molar refractivity
116.33
Supplementary Information
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