名称: threonine methyl ester hydrochloride
SMILES:
COC(=O)[C@@H](N)[C@@H](C)O.ClMolecular Processing
Molecular formula
C5H12ClNO3
Molecular weight
169.61
Exact mass
169.0506
XLogP
-0.71
TPSA
72.55
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
10
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
2
Fraction Csp3
0.8
Molar refractivity
38.92
Supplementary Information
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