C[C@](O)(C(O)Cc1ccc(S(=O)(=O)c2ccccc2)cc1)C(F)(F)F
名称: (2S)-1,1,1-Trifluoro-2-methyl-4-(4-phenylsulfonylphenyl)-2,3-butanediol
SMILES: C[C@](O)(C(O)Cc1ccc(S(=O)(=O)c2ccccc2)cc1)C(F)(F)F

Molecular Processing

Molecular formula
C17H17F3O4S
Molecular weight
374.38
Exact mass
374.08
XLogP
2.74
TPSA
74.6
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
25
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.294
Molar refractivity
84.73

Supplementary Information

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