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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL196590
CHEMBL196590
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C14H10Cl4

Additional synonyms for CHEMBL196590 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES ClC(Cl)C(c1ccc(Cl)cc1)c2ccc(Cl)cc2
Standard InChI InChI=1S/C14H10Cl4/c15-11-5-1-9(2-6-11)13(14(17)18)10-3-7-12 ...
Download InChI
Standard InChI Key AHJKRLASYNVKDZ-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL196590

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
320 317.9537 5.75 3 0 -


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 5.82 5.82 2 18 0.63

Structural Alerts

There are 6 structural alerts for CHEMBL196590. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:AHJKRLASYNVKDZ-UHFFFAOYSA-N
PubChem SID: 144208494 SID: 144210511 SID: 17389948 SID: 26753099
Wikipedia Dichlorodiphenyldichloroethane

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL196590



ACToR 72-54-8
BindingDB 50410537
Brenda 95545
ChEBI 27841
eMolecules 500433
EPA CompTox Dashboard DTXSID4020373
FDA SRS V14159DF29
IBM Patent System 93760E7DACC1F580375B51775B343349
KEGG Ligand C06636
Metabolights MTBLC27841
MolPort MolPort-003-930-783
Nikkaji J2.378G
PubChem 6294
PubChem: Thomson Pharma 15445277
SureChEMBL SCHEMBL819163
ZINC ZINC000001530501

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