benzoquinone   Click here for help

GtoPdb Ligand ID: 6307

Abbreviated name: p-BQ
Synonyms: p-benzoquinone
PDB Ligand
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 0
Topological polar surface area 34.14
Molecular weight 108.02
XLogP -0.23
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES O=C1C=CC(=O)C=C1
Isomeric SMILES O=C1C=CC(=O)C=C1
InChI InChI=1S/C6H4O2/c7-5-1-2-6(8)4-3-5/h1-4H
InChI Key AZQWKYJCGOJGHM-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
cyclohexa-2,5-diene-1,4-dione
Synonyms Click here for help
p-benzoquinone
Database Links Click here for help
CAS Registry No. 106-51-4 (source: SciFinder)
ChEMBL Ligand CHEMBL8320
GtoPdb PubChem SID 178102926
PubChem CID 4650
RCSB PDB Ligand PLQ
Search Google for chemical match using the InChIKey AZQWKYJCGOJGHM-UHFFFAOYSA-N
Search Google for chemicals with the same backbone AZQWKYJCGOJGHM
Search UniChem for chemical match using the InChIKey AZQWKYJCGOJGHM-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone AZQWKYJCGOJGHM
Wikipedia 1,4-Benzoquinone