SMILES:
CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H](Sc2ccccc2)SC[C@H]1OC(C)=OMolecular Processing
Molecular formula
C17H20O6S2
Molecular weight
384.48
Exact mass
384.0701
XLogP
2.65
TPSA
78.9
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
5
Heavy atoms
25
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
4
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.471
Molar refractivity
95.21
Supplementary Information
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