SMILES:
O=[N+]([O-])c1ccc2c(c1)CNS(=O)(=O)C2Molecular Processing
Molecular formula
C8H8N2O4S
Molecular weight
228.23
Exact mass
228.0205
XLogP
0.53
TPSA
89.31
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
15
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
52.56
Supplementary Information
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