이름: (2S)-2-(2,3,4-trifluoroanilino)propionic acid
SMILES:
C[C@H](Nc1ccc(F)c(F)c1F)C(=O)OMolecular Processing
Molecular formula
C9H8F3NO2
Molecular weight
219.16
Exact mass
219.0507
XLogP
1.99
TPSA
49.33
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
15
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
47.04
Supplementary Information
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