SMILES:
COC(=O)c1cc(S(C)(=O)=O)c(C(C)C)cc1CMolecular Processing
Molecular formula
C13H18O4S
Molecular weight
270.35
Exact mass
270.0926
XLogP
2.31
TPSA
60.44
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
18
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
0.462
Molar refractivity
69.72
Supplementary Information
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