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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL83761
CHEMBL83761
Compound Name
ChEMBL Synonyms 4-Phenylazo-Phenylamine
Max Phase 0
Trade Names
Molecular Formula C12H11N3

Additional synonyms for CHEMBL83761 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Nc1ccc(cc1)N=Nc2ccccc2
Standard InChI InChI=1S/C12H11N3/c13-10-6-8-12(9-7-10)15-14-11-4-2-1-3-5-11 ...
Download InChI
Standard InChI Key QPQKUYVSJWQSDY-CCEZHUSRSA-N

Alternate Forms of Compound in ChEMBL


CHEMBL83761

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
197.2 197.0953 3.45 2 50.73 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 3 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 3.12 3.41 3.41 2 15 0.59

Structural Alerts

There are 12 structural alerts for CHEMBL83761. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:QPQKUYVSJWQSDY-CCEZHUSRSA-N
PubChem SID: 124892806 SID: 144213980 SID: 26757494 SID: 68731
Wikipedia Aniline_Yellow

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL83761



ACToR 25548-34-9 60-09-3
ChEBI 233869
eMolecules 921176
EPA CompTox Dashboard DTXSID6024460
FDA SRS 57X2AH42T1
KEGG Ligand C19187
Mcule MCULE-4105102847
MolPort MolPort-000-564-806 MolPort-005-273-802
Nikkaji J2.337J J485.147A J2.498.412E
NMRShiftDB 20109406
PubChem: Thomson Pharma 15171641
SureChEMBL SCHEMBL208182
ZINC ZINC18060741

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