SMILES:
Cc1ccccc1S(=O)(=O)OCC1CCCC1Molecular Processing
Molecular formula
C13H18O3S
Molecular weight
254.35
Exact mass
254.0977
XLogP
2.89
TPSA
43.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
17
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.538
Molar refractivity
66.27
Supplementary Information
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