SMILES:
COc1ccc(CCCOS(C)(=O)=O)cc1Molecular Processing
Molecular formula
C11H16O4S
Molecular weight
244.31
Exact mass
244.0769
XLogP
1.6
TPSA
52.6
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
16
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.455
Molar refractivity
62.11
Supplementary Information
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