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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2311071
CHEMBL2311071
Compound Name VINYL CHLORIDE
ChEMBL Synonyms VINYL CHLORIDE
Max Phase 4 (Approved)
Withdrawn Yes
Trade Names
Molecular Formula C2H3Cl

Additional synonyms for CHEMBL2311071 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES ClC=C
Standard InChI InChI=1S/C2H3Cl/c1-2-3/h2H,1H2
Standard InChI Key BZHJMEDXRYGGRV-UHFFFAOYSA-N

Sources

  • External Project Compounds
  • Withdrawn Drugs

Alternate Forms of Compound in ChEMBL


CHEMBL2311071

Molecule Features

CHEMBL2311071 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:N Parenteral:N Topical:N Black Box:N Availability Type:Withdrawn

Withdrawal Information

Year
Country United States
Reason
Class

Clinical Data

ClinicalTrials.gov VINYL CHLORIDE
The Cochrane Collaboration VINYL CHLORIDE

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
62.5 61.9923 1.37 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
- - 1.69 1.69 0 3 0.4

Structural Alerts

There are 5 structural alerts for CHEMBL2311071. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:BZHJMEDXRYGGRV-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2311071



ACToR 9002-86-2 75-01-4
Brenda 12726 105677
ChEBI 28509
ChemicalBook CB8294089
eMolecules 486209
EPA CompTox Dashboard DTXSID8021434
FDA SRS WD06X94M2D
KEGG Ligand C19508 C06793
Mcule MCULE-9678046268
MolPort MolPort-003-927-325
Nikkaji J2.387F
NMRShiftDB 10015829
PubChem 6338
PubChem: Thomson Pharma 14915906
SureChEMBL SCHEMBL15057

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