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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL156455
CHEMBL156455
Compound Name 1,1-DICHLOROETHENE
ChEMBL Synonyms 1,1-Dichloro-Ethene
Max Phase 0
Trade Names
Molecular Formula C2H2Cl2

Additional synonyms for CHEMBL156455 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES ClC(=C)Cl
Standard InChI InChI=1S/C2H2Cl2/c1-2(3)4/h1H2
Standard InChI Key LGXVIGDEPROXKC-UHFFFAOYSA-N

Sources

  • DrugMatrix
  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL156455

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
96.9 95.9534 1.94 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
- - 2.04 2.04 0 4 0.43

Structural Alerts

There are 2 structural alerts for CHEMBL156455. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:LGXVIGDEPROXKC-UHFFFAOYSA-N
PubChem SID: 144207555 SID: 17389686

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL156455



ACToR 75-35-4 120025-75-4
Brenda 29233 135253 136951
ChEBI 34031
ChemicalBook CB8292656
eMolecules 475163
EPA CompTox Dashboard DTXSID8021438
FDA SRS 21SK105J9D
IBM Patent System 8F0532E0F856438F3998674C1E8651CE
KEGG Ligand C14039
Mcule MCULE-1430323756
Metabolights MTBLC34031
MolPort MolPort-003-925-228
Nikkaji J2.391D
NMRShiftDB 10014333
PubChem 6366
PubChem: Thomson Pharma 14793661
SureChEMBL SCHEMBL7620
ZINC ZINC000008437654

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