Name: (R)-2-amino-3-(4′-cyano-biphenyl-4-yl)-propionic acid methyl ester
SMILES:
COC(=O)[C@H](N)Cc1ccc(-c2ccc(C#N)cc2)cc1Molecular Processing
Molecular formula
C17H16N2O2
Molecular weight
280.33
Exact mass
280.1212
XLogP
2.27
TPSA
76.11
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
21
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.176
Molar refractivity
80.29
Supplementary Information
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