SMILES:
CCOC(=O)COc1ccc(CCOS(C)(=O)=O)cc1Molecular Processing
Molecular formula
C13H18O6S
Molecular weight
302.35
Exact mass
302.0824
XLogP
1.15
TPSA
78.9
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
20
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
73.07
Supplementary Information
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