SMILES:
CO[C@H]1C[C@@H](C(=O)NS(=O)(=O)c2ccccc2)C[C@@H]1O[N+](=O)[O-]Molecular Processing
Molecular formula
C13H16N2O7S
Molecular weight
344.35
Exact mass
344.0678
XLogP
0.49
TPSA
124.84
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
23
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
77.16
Supplementary Information
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