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EBI Databases Small Molecules ChEMBL Database CHEMBL194400

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL194400
CHEMBL194400
Compound Name HEPTACHLOR
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C10H5Cl7

Additional synonyms for CHEMBL194400 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES ClC1C=CC2C1C3(Cl)C(=C(Cl)C2(Cl)C3(Cl)Cl)Cl
Standard InChI InChI=1S/C10H5Cl7/c11-4-2-1-3-5(4)9(15)7(13)6(12)8(3,14)10(9 ...
Download InChI
Standard InChI Key FRCCEHPWNOQAEU-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature
  • TP-search Transporter Database

Alternate Forms of Compound in ChEMBL


CHEMBL194400

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
373.3 369.8211 4.24 0 0 -


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 5.71 5.71 0 17 0.44

Structural Alerts

There are 13 structural alerts for CHEMBL194400. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:FRCCEHPWNOQAEU-UHFFFAOYSA-N
PubChem SID: 144209109 SID: 144210852 SID: 17389863 SID: 26747770 SID: 85148760
Wikipedia Heptachlor

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL194400



ACToR 76-44-8 23720-59-4
BindingDB 50410521
Brenda 57952
ChEBI 34785
EPA CompTox Dashboard DTXSID3020679
IBM Patent System E5A934E1B5266389C430BCABF79172A1
KEGG Ligand C14185
Nikkaji J9.240A
NMRShiftDB 10018840
PubChem 3589
PubChem: Thomson Pharma 15326433
SureChEMBL SCHEMBL65124

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