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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL15888
CHEMBL15888
Compound Name 4-CHLOROANILINE
ChEMBL Synonyms 4-Chloro-Phenylamine | 4-Chloroaniline
Max Phase 0
Trade Names
Molecular Formula C6H6ClN

Additional synonyms for CHEMBL15888 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Nc1ccc(Cl)cc1
Standard InChI InChI=1S/C6H6ClN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2
Standard InChI Key QSNSCYSYFYORTR-UHFFFAOYSA-N

Sources

  • DrugMatrix
  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL15888

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
127.6 127.0189 1.75 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
- 3.97 1.95 1.95 1 8 0.53

Structural Alerts

There are 3 structural alerts for CHEMBL15888. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:QSNSCYSYFYORTR-UHFFFAOYSA-N
PubChem SID: 144213991 SID: 17389973
Wikipedia 4-Chloroaniline

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL15888



ACToR 106-47-8
Brenda 3602 106955 104981
ChEBI 20331
eMolecules 490444
EPA CompTox Dashboard DTXSID9020295
FDA SRS Z553SGH315
IBM Patent System EF87304A80233F821933522BE71D7642
KEGG Ligand C14450
Mcule MCULE-6515849225
MolPort MolPort-000-871-529
Nikkaji J4.034G
NMRShiftDB 10005685
PubChem 7812
PubChem: Thomson Pharma 14891497
SureChEMBL SCHEMBL27544
ZINC ZINC000000403225

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