名称: (R)-2-(3-bromo-4-cyanophenylamino)-3-phenylpropanamide
SMILES:
N#Cc1ccc(N[C@H](Cc2ccccc2)C(N)=O)cc1BrMolecular Processing
Molecular formula
C16H14BrN3O
Molecular weight
344.21
Exact mass
343.032
XLogP
2.83
TPSA
78.91
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
21
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
85.61
Supplementary Information
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