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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL52347
CHEMBL52347
Compound Name 1,2-NAPHTHOQUINONE
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C10H6O2

Additional synonyms for CHEMBL52347 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O=C1C=Cc2ccccc2C1=O
Standard InChI InChI=1S/C10H6O2/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-6H
Standard InChI Key KETQAJRQOHHATG-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL52347

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
158.2 158.0368 1.47 0 34.14 -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 0 0 2 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 1.46 1.46 1 12 0.54

Structural Alerts

There are 7 structural alerts for CHEMBL52347. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:KETQAJRQOHHATG-UHFFFAOYSA-N
PubChem SID: 8139964
Wikipedia 1,2-Naphthoquinone

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL52347



ACToR 524-42-5
BindingDB 22851
Brenda 1907 20431 20675
ChEBI 34055
eMolecules 500114
EPA CompTox Dashboard DTXSID2060171
FDA SRS 804K62F61Q
IBM Patent System 73D1C7B65EEDA9AC2946F9742F79AB37 980B975CDF4D822859B1F883FDFBD74B
KEGG Ligand C14783
Mcule MCULE-2506895887
MolPort MolPort-000-181-401
Nikkaji J6.639G
PubChem 10667
PubChem: Thomson Pharma 15194833
SureChEMBL SCHEMBL173316
ZINC ZINC000001700208

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/KETQAJRQOHHATG-UHFFFAOYSA-N spacer
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