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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL58835
CHEMBL58835
Compound Name AZOBENZENE
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C12H10N2

Additional synonyms for CHEMBL58835 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES c1ccc(cc1)N=Nc2ccccc2
Standard InChI InChI=1S/C12H10N2/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12/h1- ...
Download InChI
Standard InChI Key DMLAVOWQYNRWNQ-BUHFOSPRSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL58835

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
182.2 182.0844 4.2 2 24.72 -


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
- - 3.83 3.83 2 14 0.65

Structural Alerts

There are 7 structural alerts for CHEMBL58835. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:DMLAVOWQYNRWNQ-BUHFOSPRSA-N
PubChem SID: 17390028 SID: 26753122
Wikipedia Azobenzene

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL58835



ACToR 17082-12-1 103-33-3 1080-16-6
BindingDB 115180
ChEBI 58996
eMolecules 477295
FDA SRS F0U1H6UG5C
KEGG Ligand C19334
MolPort MolPort-001-780-130
Nikkaji J37.407E J4.020G J37.408C
PubChem: Thomson Pharma 15487316
SureChEMBL SCHEMBL32032
ZINC ZINC000003871618

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