이름: (S)-4-nitrophenylalanine methyl ester hydrochloride
SMILES:
COC(=O)[C@@H](N)Cc1ccc([N+](=O)[O-])cc1.ClMolecular Processing
Molecular formula
C10H13ClN2O4
Molecular weight
260.68
Exact mass
260.0564
XLogP
1.06
TPSA
95.46
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
17
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
2
Fraction Csp3
0.3
Molar refractivity
64.04
Supplementary Information
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