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
Formula
C14H11NO3
Exact Mass
Calculate m/z
241.073894
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Aromatic polyketides [PK13]
Diphenyl ethers, biphenyls, dibenzyls and stilbenes [PK1309]

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

Other Databases

KEGG ID
C15268
CHEBI ID
79770
PubChem CID
248990

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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Updated at
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