Structure Database (LMSD)

Common Name
trans-2-(4-nitrophenyl)-3-phenyloxirane
Systematic Name
Synonyms
  • trans- alpha,alpha'-epoxy-4-nitrobibenzyl
  • trans-4-nitrostilbene oxide
LM ID
LMPK13090027
Status
Active
Exact Mass
Calculate m/z
241.073894
Formula


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
YUZKNYLREGXARL-KBPBESRZSA-N
InChi (Click to copy)
InChI=1S/C14H11NO3/c16-15(17)12-8-6-11(7-9-12)14-13(18-14)10-4-2-1-3-5-10/h1-9,13-14H/t13-,14-/m0/s1
SMILES (Click to copy)
[C@@H]1(C2=CC=CC=C2)O[C@H]1C1=CC=C([N+](=O)[O-])C=C1

References

Other Databases

KEGG ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 3
Aromatic Rings 2
Rotatable Bonds 3
Van der Waals Molecular Volume 210.77
Topological Polar Surface Area 55.67
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 4
logP 3.41
Molar Refractivity 66.11

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Created at
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Updated at
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