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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

Structural Alerts

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

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 1.75 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

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
ChEBI 34055
eMolecules 500114
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 ZINC01700208

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