COC(=O)CCc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1S
SMILES: COC(=O)CCc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1S

Molecular Processing

Molecular formula
C13H12F6O3S
Molecular weight
362.29
Exact mass
362.0411
XLogP
3.39
TPSA
46.53
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
23
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
70.04

Supplementary Information

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