SMILES:
NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1Molecular Processing
Molecular formula
C7H8N2O4S
Molecular weight
216.22
Exact mass
216.0205
XLogP
0.38
TPSA
103.3
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
14
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
49.91
Supplementary Information
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