Structure Database (LMSD)

Common Name
4,4'-dinitrostilbene
Systematic Name
Synonyms
LM ID
LMPK13090028
Formula
C14H10N2O4
Exact Mass
Calculate m/z
270.064058
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)
CLVIIRIMEIEKOQ-OWOJBTEDSA-N
InChi (Click to copy)
InChI=1S/C14H10N2O4/c17-15(18)13-7-3-11(4-8-13)1-2-12-5-9-14(10-6-12)16(19)20/h1-10H/b2-1+
SMILES (Click to copy)
C1([N+]([O-])=O)=CC=C(/C=C/C2=CC=C([N+](=O)[O-])C=C2)C=C1

Other Databases

KEGG ID
C15296
CHEBI ID
79798
PubChem CID
5377860

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 2
Aromatic Rings 2
Rotatable Bonds 4
Van der Waals Molecular Volume 237.64
Topological Polar Surface Area 86.28
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 6
logP 3.67
Molar Refractivity 75.12

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Updated at
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