Name: 5-methanesulfonyl-2-((S)-2,2,2-trifluoro-1-methyl-ethoxy)-benzoic acid
SMILES:
C[C@H](Oc1ccc(S(C)(=O)=O)cc1C(=O)O)C(F)(F)FMolecular Processing
Molecular formula
C11H11F3O5S
Molecular weight
312.26
Exact mass
312.0279
XLogP
2.12
TPSA
80.67
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
20
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
62.66
Supplementary Information
Details werden geladen…
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