SMILES:
CC(C)Oc1ccc(S(C)(=O)=O)cc1C(=O)OMolecular Processing
Molecular formula
C11H14O5S
Molecular weight
258.29
Exact mass
258.0562
XLogP
1.58
TPSA
80.67
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
17
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
62.28
Supplementary Information
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