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

Molecular Processing

Molecular formula
C12H9NO5S
Molecular weight
279.27
Exact mass
279.0201
XLogP
2.51
TPSA
97.51
H-bond donors
1
H-bond acceptors
4
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
7
Covalent units
1
Fraction Csp3
0
Molar refractivity
68.35

Supplementary Information

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