الاسم: ethyl (2R)-2-acetylamino-3-(3-cyanophenyl)propanoate
SMILES:
CCOC(=O)[C@@H](Cc1cccc(C#N)c1)NC(C)=OMolecular Processing
Molecular formula
C14H16N2O3
Molecular weight
260.29
Exact mass
260.1161
XLogP
1.17
TPSA
79.19
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
19
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.357
Molar refractivity
69.1
Supplementary Information
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