C17 H13 N2 O4
A1EAS
4-[3-(4-carboxyphenyl)imidazol-3-ium-1-yl]benzoic acid
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
4-[3-(4-carboxyphenyl)imidazol-3-ium-1-yl]benzoic acid
Formula
Standard InChI
InChI=1S/C17H12N2O4/c20-16(21)12-1-5-14(6-2-12)18-9-10-19(11-18)15-7-3-13(4-8-15)17(22)23/h1-11H,(H-,20,21,22,23)/p+1
Standard InChI Key
JCHFUTIHERUXPE-UHFFFAOYSA-O
SMILES
c1cc(ccc1C(=O)O)n2cc[n+](c2)c3ccc(cc3)C(=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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