ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL155816
CHEMBL155816
Compound Name
ChEMBL Synonyms 1,1,1,2-Tetrachloro-Ethane | 1,1,1,2-Tetrachloroethane
Max Phase 0
Trade Names
Molecular Formula C2H2Cl4

Additional synonyms for CHEMBL155816 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES ClCC(Cl)(Cl)Cl
Standard InChI InChI=1S/C2H2Cl4/c3-1-2(4,5)6/h1H2
Standard InChI Key QVLAWKAXOMEXPM-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL155816

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
167.9 165.8911 2.6 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
- - 2.65 2.65 0 6 0.49

Structural Alerts

There are 9 structural alerts for CHEMBL155816. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:QVLAWKAXOMEXPM-UHFFFAOYSA-N
PubChem SID: 144208307
Wikipedia 1,1,1,2-Tetrachloroethane

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL155816



ACToR 630-20-6
Brenda 62877
ChEBI 34024
eMolecules 475284
EPA CompTox Dashboard DTXSID2021317
FDA SRS 0S5MKE574X
IBM Patent System 83051084D5DACB0479E251D71B8BDFC4
KEGG Ligand C14705
Mcule MCULE-4379418128
Nikkaji J3.311A
NMRShiftDB 11015
PubChem 12418
PubChem: Thomson Pharma 15219461
SureChEMBL SCHEMBL2565
ZINC ZINC000008437800

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