SMILES:
COC(=O)C1CC1COS(C)(=O)=OMolecular Processing
Molecular formula
C7H12O5S
Molecular weight
208.23
Exact mass
208.0405
XLogP
-0.23
TPSA
69.67
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
13
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.857
Molar refractivity
44.41
Supplementary Information
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