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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL395653
CHEMBL395653
Compound Name ACENAPHTHOQUINONE
ChEMBL Synonyms Acenaphthequinone | Acenaphthoquinone | Acenaphthylene-1,2-Dione | Acenaphthenequinone
Max Phase 0
Trade Names
Molecular Formula C12H6O2

Additional synonyms for CHEMBL395653 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O=C1C(=O)c2cccc3cccc1c23
Standard InChI InChI=1S/C12H6O2/c13-11-8-5-1-3-7-4-2-6-9(10(7)8)12(11)14/h1 ...
Download InChI
Standard InChI Key AFPRJLBZLPBTPZ-UHFFFAOYSA-N

Structural Alerts

There are 4 structural alerts for CHEMBL395653. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL395653

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
182.2 182.0368 2.2 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
- - 1.78 1.78 2 14 0.59

Compound Cross References

ChemSpider ChemSpider:AFPRJLBZLPBTPZ-UHFFFAOYSA-N
PubChem SID: 144210145 SID: 22404912
Wikipedia Acenaphthoquinone

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL395653



ACToR 82-86-0 131213-20-2
BindinDB 22853
ChEBI 15342
eMolecules 474254
FDA SRS 3950D6UEIQ
IBM Patent System 4674D0F45EEECA60954550D1F3B6A9F0
IBM Patents EP0362649A2 EP0362644A1 EP0362649B1 US4154929 EP0362644B1 EP0971382A1
KEGG Ligand C02807
Mcule MCULE-7392537942
MolPort MolPort-000-883-921
Nikkaji J192.605E
NMRShiftDB 20142614
PDBe ANQ
PubChem 6724
PubChem: Thomson Pharma 14794119
SureChEMBL SCHEMBL141538
ZINC ZINC01529526

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