이름: (4-nitrophenyl)methyl 2-(2-ethylsulfanyl-4-oxoazetidin-1-yl)-2-hydroxyacetate
SMILES:
CCSC1CC(=O)N1C(C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])OMolecular Processing
Molecular formula
C14H16N2O6S
Molecular weight
340.36
Exact mass
340.0729
XLogP
1.27
TPSA
109.98
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
23
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
82.28
Supplementary Information
InChIKey: IEFPFIARRXGQJC-UHFFFAOYSA-N
동의어
SCHEMBL10647532IEFPFIARRXGQJC-UHFFFAOYSA-Np-nitrobenzyl 2-(4-ethylthio-2-oxo-1-azetidinyl)-2-hydroxyacetate
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