Name: (S)-2-amino-3-(4′-chloro-biphenyl-4-yl)-propionic acid methyl ester hydrochloride
SMILES:
COC(=O)[C@@H](N)Cc1ccc(-c2ccc(Cl)cc2)cc1.ClMolecular Processing
Molecular formula
C16H17Cl2NO2
Molecular weight
326.22
Exact mass
325.0636
XLogP
3.47
TPSA
52.32
H-bond donors
1
H-bond acceptors
3
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
5
Covalent units
2
Fraction Csp3
0.188
Molar refractivity
87.83
Supplementary Information
Details werden geladen…
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