SMILES:
CCC(NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OCMolecular Processing
Molecular formula
C11H14ClNO4S
Molecular weight
291.76
Exact mass
291.0332
XLogP
1.57
TPSA
72.47
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
18
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
67.87
Supplementary Information
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