Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMPK12130023
Common Name-
Systematic Name4'-Chloroaurone
Synonyms-
Exact Mass
256.0291 (neutral)    Calculate m/z:
FormulaC15H9ClO2
CategoryPolyketides [PK]
Main ClassFlavonoids [PK12]
Sub ClassAurone flavonoids [PK1213]
PubChem CID5467625
METABOLOMICS IDFL1A99NSH001
InChIKeyJIWJNEVCSMZRGO-ZROIWOOFSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C15H9ClO2/c16-11-7-5-10(6-8-11)9-14-15(17)12-3-1-2-4-13(12)18-14/h1-9H/
b14-9-
SMILESC1C=C2O/C(=C\C3C=CC(Cl)=CC=3)/C(=O)C2=CC=1
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms18Rings3Aromatic Rings2Rotatable Bonds1
 van der Waals
Molecular Volume
220.85Topological Polar
Surface Area
28.37Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
2
 logP3.96Molar
Refractivity
70.83