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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL16370
CHEMBL16370
Compound Name 1,2-DICHLOROETHANE
ChEMBL Synonyms Dichloroethylene | 1,2-Dichloroethane | 1,2-Dichloro-Ethane
Max Phase 0
Trade Names
Molecular Formula C2H4Cl2

Additional synonyms for CHEMBL16370 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES ClCCCl
Standard InChI InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2
Standard InChI Key WSLDOOZREJYCGB-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL16370

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
99 97.969 1.46 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
- - 1.65 1.65 0 4 0.44

Structural Alerts

There are 8 structural alerts for CHEMBL16370. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:WSLDOOZREJYCGB-UHFFFAOYSA-N
PubChem SID: 144209664 SID: 17389930
Wikipedia 1,2-Dichloroethane

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL16370



ACToR 107-06-2
Brenda 105728 4194
ChEBI 27789
ChemicalBook CB7295478
DrugBank DB03733
eMolecules 475157
EPA CompTox Dashboard DTXSID6020438
FDA SRS 55163IJI47
Human Metabolome Database HMDB0029571
IBM Patent System 10D9B75AC3238E6956CD0B3718BA8C81
KEGG Ligand C06752
Mcule MCULE-3493741440
MolPort MolPort-000-871-958
Nikkaji J4.049E
NMRShiftDB 10932
PDBe DCE
PubChem 11
PubChem: Thomson Pharma 15218726
Rhea 27789
SureChEMBL SCHEMBL127
ZINC ZINC000008220695

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