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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL55934
CHEMBL55934
Compound Name NAPHTHOQUINONE
ChEMBL Synonyms Naphthoquinone 1 | 1,4-Naphtho-Quinone | 1,4-Naphthoquinone | Naphthalene-1,4-Dione
Max Phase 0
Trade Names
Molecular Formula C10H6O2

Additional synonyms for CHEMBL55934 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O=C1C=CC(=O)c2ccccc12
Standard InChI InChI=1S/C10H6O2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6H
Standard InChI Key FRASJONUBLZVQX-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL55934

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 1.62 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
- - 1.57 1.57 1 12 0.57

Structural Alerts

There are 8 structural alerts for CHEMBL55934. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:FRASJONUBLZVQX-UHFFFAOYSA-N
PubChem SID: 251919753 SID: 26757484
Wikipedia 1,4-Naphthoquinone

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL55934



ACToR 130-15-4
BindingDB 24776
Brenda 5583 154093 51221 83127 1083 43754 74292
ChEBI 27418
ChemicalBook CB7381254
eMolecules 483192
EPA CompTox Dashboard DTXSID5040704
FDA SRS RBF5ZU7R7K
IBM Patent System B66D7CFE5FB69FA5F9C74C015DF0D244
KEGG Ligand C02617
Mcule MCULE-4996549760
MolPort MolPort-001-768-930
Nikkaji J5.430E
NMRShiftDB 10015931
PubChem 8530
PubChem: Thomson Pharma 14793918
SureChEMBL SCHEMBL42139
ZINC ZINC000000901405

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