SMILES:
COC(=O)c1ccccc1-c1ccc(COS(C)(=O)=O)cc1Molecular Processing
Molecular formula
C16H16O5S
Molecular weight
320.37
Exact mass
320.0718
XLogP
2.62
TPSA
69.67
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
22
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.188
Molar refractivity
82.85
Supplementary Information
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