SMILES:
Cc1ccc(S(=O)(=O)OCCCCCCCCCCCCCCCC(=O)O)cc1Molecular Processing
Molecular formula
C23H38O5S
Molecular weight
426.62
Exact mass
426.244
XLogP
6.25
TPSA
80.67
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
18
Heavy atoms
29
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
0.696
Molar refractivity
116.59
Supplementary Information
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