N[C@@H](Cc1ccccn1)C(=O)OCc1ccccc1.O=C(O)C(F)(F)F
名称: (S)-benzyl 2-amino-3-(pyridin-2-yl)propanoate TFA salt
SMILES: N[C@@H](Cc1ccccn1)C(=O)OCc1ccccc1.O=C(O)C(F)(F)F

Molecular Processing

Molecular formula
C17H17F3N2O4
Molecular weight
370.33
Exact mass
370.114
XLogP
2.33
TPSA
102.51
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
26
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
2
Fraction Csp3
0.235
Molar refractivity
85.85

Supplementary Information

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