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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 1,2-Dichloroethane | Dichloroethylene | 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 1.51 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
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
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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