O=[N+]([O-])c1ccc(-c2ccccc2S(=O)(=O)c2ccccc2-c2ccc([N+](=O)[O-])cc2)cc1
SMILES: O=[N+]([O-])c1ccc(-c2ccccc2S(=O)(=O)c2ccccc2-c2ccc([N+](=O)[O-])cc2)cc1

Molecular Processing

Molecular formula
C24H16N2O6S
Molecular weight
460.47
Exact mass
460.0729
XLogP
5.67
TPSA
120.42
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
33
Rings
4
Aromatic rings
4
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
122.52

Supplementary Information

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