이름: (2S,3R)-2-(4-chlorophenyl)-4,4,4-trifluoro-3-methylbutanoic acid
SMILES:
C[C@H]([C@H](C(=O)O)c1ccc(Cl)cc1)C(F)(F)FMolecular Processing
Molecular formula
C11H10ClF3O2
Molecular weight
266.65
Exact mass
266.0321
XLogP
3.71
TPSA
37.3
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
3
Heavy atoms
17
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
57.05
Supplementary Information
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