CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H](Sc2ccc(C(F)(F)F)cc2)SC[C@H]1OC(C)=O
SMILES: CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H](Sc2ccc(C(F)(F)F)cc2)SC[C@H]1OC(C)=O

Molecular Processing

Molecular formula
C18H19F3O6S2
Molecular weight
452.47
Exact mass
452.0575
XLogP
3.67
TPSA
78.9
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
5
Heavy atoms
29
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
4
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
100.21

Supplementary Information

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