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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1797271
CHEMBL1797271
Compound Name ACENAPHTHENE
ChEMBL Synonyms Acenaphthene
Max Phase 0
Trade Names
Molecular Formula C12H10

Additional synonyms for CHEMBL1797271 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C1Cc2cccc3cccc1c23
Standard InChI InChI=1S/C12H10/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-6H,7-8 ...
Download InChI
Standard InChI Key CWRYPZZKDGJXCA-UHFFFAOYSA-N

Alternate Forms of Compound in ChEMBL


CHEMBL1797271

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
154.2 154.0783 3.34 0 0 -


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 3.73 3.73 2 12 0.55

Structural Alerts

There are no structural alerts for CHEMBL1797271

Compound Cross References

ChemSpider ChemSpider:CWRYPZZKDGJXCA-UHFFFAOYSA-N
PubChem SID: 144209598 SID: 144210333 SID: 26757383
Wikipedia Acenaphthene

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1797271



ACToR 83-32-9
ChEBI 22154
eMolecules 474252
EPA CompTox Dashboard DTXSID3021774
FDA SRS V8UT1GAC5Y
IBM Patent System 8E16250B6D447D0C1D27B598FEC1BA10
KEGG Ligand C19312
Mcule MCULE-4886754503
MolPort MolPort-002-070-540
Nikkaji J3.533E
NMRShiftDB 10174
PubChem 6734
PubChem: Thomson Pharma 14891647
SureChEMBL SCHEMBL9017
ZINC ZINC01235986

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