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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

Structural Alerts

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

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

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 MolPort-005-943-673
Nikkaji J37.407E J4.020G J37.408C
PubChem: Thomson Pharma 15487316
SureChEMBL SCHEMBL32032
ZINC ZINC03871618

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