SMILES:
COC(=O)c1sccc1S(=O)(=O)N=C=OMolecular Processing
Molecular formula
C7H5NO5S2
Molecular weight
247.25
Exact mass
246.9609
XLogP
0.56
TPSA
89.87
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
15
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
50.97
Supplementary Information
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