SMILES:
CC(=O)OC1CSC(Sc2ccccc2C(F)(F)F)C(OC(C)=O)C1OC(C)=OMolecular 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
4
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
100.21
Supplementary Information
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