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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL43882
CHEMBL43882
Compound Name TRICHLOROETHANE
ChEMBL Synonyms 1,1,2-Trichloroethane | 1,1,2-Trichloro-Ethane
Max Phase 0
Trade Names
Molecular Formula C2H3Cl3

Additional synonyms for CHEMBL43882 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES ClCC(Cl)Cl
Standard InChI InChI=1S/C2H3Cl3/c3-1-2(4)5/h2H,1H2
Standard InChI Key UBOXGVDOUJQMTN-UHFFFAOYSA-N

Sources

  • DrugMatrix
  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL43882

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
133.4 131.93 1.96 1 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
- - 1.92 1.92 0 5 0.48

Structural Alerts

There are 9 structural alerts for CHEMBL43882. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:UBOXGVDOUJQMTN-UHFFFAOYSA-N
PubChem SID: 144209663 SID: 17389698
Wikipedia 1,1,2-Trichloroethane

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL43882



ACToR 79-00-5 25323-89-1
Brenda 30966
ChEBI 36018
eMolecules 475290
EPA CompTox Dashboard DTXSID5021380
FDA SRS 28E9ERN9WU
IBM Patent System 0AA0333DE1208AD6BEBEC6D1DDB955B8
KEGG Ligand C19536
Mcule MCULE-9302905435
MolPort MolPort-001-768-363
Nikkaji J1.962C
NMRShiftDB 10011081
PubChem 6574
PubChem: Thomson Pharma 14769364
SureChEMBL SCHEMBL16435
ZINC ZINC000008585885

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