SMILES:
CCOC(=O)C(Cc1ccc(CCOc2ccc(OS(C)(=O)=O)cc2)cc1)OCCMolecular Processing
Molecular formula
C22H28O7S
Molecular weight
436.53
Exact mass
436.1556
XLogP
3.16
TPSA
88.13
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
12
Heavy atoms
30
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.409
Molar refractivity
113.31
Supplementary Information
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