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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL57376
CHEMBL57376
Compound Name 4-BROMOANILINE
ChEMBL Synonyms 4-Bromoaniline | 4-Bromo-Phenylamine
Max Phase 0
Trade Names
Molecular Formula C6H6BrN

Additional synonyms for CHEMBL57376 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Nc1ccc(Br)cc1
Standard InChI InChI=1S/C6H6BrN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2
Standard InChI Key WDFQBORIUYODSI-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL57376

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
172 170.9684 2.03 0 26.02 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 3.9 2.28 2.28 1 8 0.59

Structural Alerts

There are 5 structural alerts for CHEMBL57376. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:WDFQBORIUYODSI-UHFFFAOYSA-N
PubChem SID: 144209657 SID: 144213227 SID: 17389611 SID: 85147164
Wikipedia 4-Bromoaniline

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL57376



ACToR 106-40-1 55777-84-9
Brenda 128086 137813 10521
ChemicalBook CB9760655
eMolecules 477661
EPA CompTox Dashboard DTXSID7021867
FDA SRS 0RR61TC330
IBM Patent System 19965470D4878CC7EB64A1E6AEA7E790
Mcule MCULE-4303567759
MolPort MolPort-000-151-725
Nikkaji J47.028G
NMRShiftDB 10005934
PubChem 7807
PubChem: Thomson Pharma 15339713
SureChEMBL SCHEMBL45481
ZINC ZINC000000013614

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