Structure database (LMSD)

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LM IDLMPK13090019
Common Name(E)-4-Methoxy-4'-nitrostilbene
Systematic Name-
Synonyms(E)-1-methoxy-4-[2-(4-nitrophenyl)ethenyl]benzene
Exact Mass
255.0895 (neutral)    Calculate m/z:
FormulaC15H13NO3
CategoryPolyketides [PK]
Main ClassAromatic polyketides [PK13]
Sub ClassDiphenyl ethers, biphenyls, dibenzyls and stilbenes [PK1309]
PubChem CID745105
KEGG IDC14622
InChIKeyPDFBJCRLHMEJQP-NSCUHMNNSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C15H13NO3/c1-19-15-10-6-13(7-11-15)3-2-12-4-8-14(9-5-12)16(17)18/h2-11H
,1H3/b3-2+
SMILESC1([N+]([O-])=O)=CC=C(/C=C/C2=CC=C(OC)C=C2)C=C1
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms19Rings2Aromatic Rings2Rotatable Bonds4
 van der Waals
Molecular Volume
237.79Topological Polar
Surface Area
52.37Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
4
 logP3.77Molar
Refractivity
75.02