SMILES:
CC(C)CS(=O)(=O)c1cccc(C(=O)O)n1Molecular Processing
Molecular formula
C10H13NO4S
Molecular weight
243.28
Exact mass
243.0565
XLogP
1.21
TPSA
84.33
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
16
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
0.4
Molar refractivity
58.09
Supplementary Information
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