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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1143
CHEMBL1143
Compound Name 2,4-DICHLOROPHENOL
ChEMBL Synonyms 2,4-Dichlorophenol
Max Phase 0
Trade Names
Molecular Formula C6H4Cl2O

Additional synonyms for CHEMBL1143 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Oc1ccc(Cl)cc1Cl
Standard InChI InChI=1S/C6H4Cl2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H
Standard InChI Key HFZWRUODUSTPEG-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1143

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
163 161.9639 2.92 0 20.23 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
8.05 - 3.1 3.01 1 9 0.62

Structural Alerts

There are no structural alerts for CHEMBL1143

Compound Cross References

ChemSpider ChemSpider:HFZWRUODUSTPEG-UHFFFAOYSA-N
PubChem SID: 144208787 SID: 144210360 SID: 17389929
Wikipedia 2,4-Dichlorophenol

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1143



ACToR 120-83-2 25167-81-1
Brenda 1368 125729
ChEBI 16738
eMolecules 478043
EPA CompTox Dashboard DTXSID1020439
FDA SRS R669TG1950
Human Metabolome Database HMDB0004811
IBM Patent System 811668A1C7FB79CDD480A699A4486A02
KEGG Ligand C02625
Mcule MCULE-7727906285
MolPort MolPort-001-787-360
Nikkaji J2.005B
NMRShiftDB 10015986
PDBe 5JC
PubChem 8449
PubChem: Thomson Pharma 15321765
Rhea 16738
SureChEMBL SCHEMBL77936
ZINC ZINC000000388057

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