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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL333179
CHEMBL333179
Compound Name ANTHRACENE
ChEMBL Synonyms Anthracene
Max Phase 0
Trade Names
Molecular Formula C14H10

Additional synonyms for CHEMBL333179 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES c1ccc2cc3ccccc3cc2c1
Standard InChI InChI=1S/C14H10/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1 ...
Download InChI
Standard InChI Key MWPLVEDNUUSJAV-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL333179

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
178.2 178.0783 3.65 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
- - 4.55 4.55 3 14 0.46

Structural Alerts

There are 5 structural alerts for CHEMBL333179. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:MWPLVEDNUUSJAV-UHFFFAOYSA-N
PubChem SID: 144209424 SID: 144210334 SID: 26757389
Wikipedia Anthracene

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL333179



ACToR 120-12-7
BindingDB 50060894
Brenda 6682
ChEBI 35298
eMolecules 478023
EPA CompTox Dashboard DTXSID0023878
FDA SRS EH46A1TLD7
IBM Patent System DBD6E0A46E987A13C5F2FCB22318667D
KEGG Ligand C14315
Mcule MCULE-4141881437
MolPort MolPort-001-760-592
Nikkaji J2.916E
NMRShiftDB 10016514
PDBe AN3
PubChem 8418
PubChem: Thomson Pharma 15219636
SureChEMBL SCHEMBL7703
ZINC ZINC000001586329

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