SMILES:
Cc1ccc(S(=O)CC(=O)OC(C)(C)C)cc1Molecular Processing
Molecular formula
C13H18O3S
Molecular weight
254.35
Exact mass
254.0977
XLogP
2.44
TPSA
43.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
17
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
68.3
Supplementary Information
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