名称: (S)-2-amino-3-(4′-cyano-biphenyl-4-yl)-propionic acid methyl ester hydrochloride
SMILES:
COC(=O)[C@@H](N)Cc1ccc(-c2ccc(C#N)cc2)cc1.ClMolecular Processing
Molecular formula
C17H17ClN2O2
Molecular weight
316.79
Exact mass
316.0979
XLogP
2.69
TPSA
76.11
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
22
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
2
Fraction Csp3
0.176
Molar refractivity
87.54
Supplementary Information
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