SMILES:
O=[N+]([O-])c1ccc(S(=O)(=O)C2CCCC2)cc1Molecular Processing
Molecular formula
C11H13NO4S
Molecular weight
255.29
Exact mass
255.0565
XLogP
2.31
TPSA
77.28
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
17
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.455
Molar refractivity
62.54
Supplementary Information
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