COC(=O)[C@@H](NC(=O)Oc1ccc([N+](=O)[O-])cc1)C(C)C
이름: N-(((4-nitrophenyl)oxy)carbonyl)-L-valine methyl ester
SMILES: COC(=O)[C@@H](NC(=O)Oc1ccc([N+](=O)[O-])cc1)C(C)C

Molecular Processing

Molecular formula
C13H16N2O6
Molecular weight
296.28
Exact mass
296.1008
XLogP
1.88
TPSA
107.77
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
21
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
72.9

Supplementary Information

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