이름: N-(((4-nitrophenyl)oxy)carbonyl)-L-alanine methyl ester
SMILES:
COC(=O)[C@H](C)NC(=O)Oc1ccc([N+](=O)[O-])cc1Molecular Processing
Molecular formula
C11H12N2O6
Molecular weight
268.22
Exact mass
268.0695
XLogP
1.24
TPSA
107.77
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
19
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
0.273
Molar refractivity
63.73
Supplementary Information
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