C13 H11 N O5
2W9
3-[3-(5-nitrofuran-2-yl)phenyl]propanoic acid
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
3-[3-(5-nitrofuran-2-yl)phenyl]propanoic acid
Formula
Standard InChI
InChI=1S/C13H11NO5/c15-13(16)7-4-9-2-1-3-10(8-9)11-5-6-12(19-11)14(17)18/h1-3,5-6,8H,4,7H2,(H,15,16)
Standard InChI Key
TXMIQTDPWRFHFQ-UHFFFAOYSA-N
SMILES
c1cc(cc(c1)c2ccc(o2)[N+](=O)[O-])CCC(=O)O
Source OpenEye
First observed in
Overall view, and highlighted
scaffolds and fragments ![help icon]()
This image gallery displays several views of the ligand structure:
- Basic Structural Representation: Shows the overall structure of the ligand.
- Detailed Structural Representation: Highlights individual atoms within the ligand.
- Murcko Scaffold: Presents the scaffold of the ligand highlighted in yellow.
- Highlighted Fragments: Displays various ligand fragments, highlighted in yellow.
This image gallery displays several views of the ligand structure:
- Basic Structural Representation: Shows the overall structure of the ligand.
- Detailed Structural Representation: Highlights individual atoms within the ligand.
- Murcko Scaffold: Presents the scaffold of the ligand highlighted in yellow.
- Highlighted Fragments: Displays various ligand fragments, highlighted in yellow.
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