SMILES:
COC(=O)Cc1ccc(S(C)(=O)=O)cc1Molecular Processing
Molecular formula
C10H12O4S
Molecular weight
228.27
Exact mass
228.0456
XLogP
0.81
TPSA
60.44
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
15
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
0.3
Molar refractivity
55.27
Supplementary Information
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