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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL30327
CHEMBL30327
Compound Name 2,3,7,8-TETRACHLORODIBENZO-P-DIOXIN
ChEMBL Synonyms 2,3,7,8-Tetrachloro-Dibenzo[1,4]Dioxine
Max Phase 0
Trade Names
Molecular Formula C12H4Cl4O2

Additional synonyms for CHEMBL30327 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Clc1cc2Oc3cc(Cl)c(Cl)cc3Oc2cc1Cl
Standard InChI InChI=1S/C12H4Cl4O2/c13-5-1-9-10(2-6(5)14)18-12-4-8(16)7(15) ...
Download InChI
Standard InChI Key HGUFODBRKLSHSI-UHFFFAOYSA-N

Sources

  • DrugMatrix
  • Gene Expression Atlas Compounds
  • PubChem BioAssays
  • Scientific Literature
  • TP-search Transporter Database

Alternate Forms of Compound in ChEMBL


CHEMBL30327

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
322 319.8965 5.78 0 18.46 -


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 6.29 6.29 2 18 0.61

Structural Alerts

There are 1 structural alerts for CHEMBL30327. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:HGUFODBRKLSHSI-UHFFFAOYSA-N
PubChem SID: 144209990
Wikipedia 2,3,7,8-Tetrachlorodibenzodioxin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL30327



ACToR 1746-01-6
Atlas TCDD 2,3,7,8-tetrachlorodibenzo-p-dioxin 2,3,7,8-tetrachlorodibenzo-p-dioxin (TCDD)
BindingDB 23927
Brenda 151602 147614 50473
ChEBI 28119
eMolecules 31231783
EPA CompTox Dashboard DTXSID2021315
FDA SRS DO80M48B6O
Guide to Pharmacology 9642
IBM Patent System D2DFE50C3203AE89B4E4F4A66C762B41
KEGG Ligand C07557
LINCS LSM-37232
Nikkaji J3.677C
PubChem 15625
PubChem: Thomson Pharma 14826195
SureChEMBL SCHEMBL8939
ZINC ZINC000000897030

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