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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL555660
CHEMBL555660
Compound Name CHLOROPRENE
ChEMBL Synonyms Chloroprene
Max Phase 0
Trade Names
Molecular Formula C4H5Cl

Additional synonyms for CHEMBL555660 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES ClC(=C)C=C
Standard InChI InChI=1S/C4H5Cl/c1-3-4(2)5/h3H,1-2H2
Standard InChI Key YACLQRRMGMJLJV-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL555660

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
88.5 88.008 1.78 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
- - 2.21 2.21 0 5 0.43

Structural Alerts

There are 5 structural alerts for CHEMBL555660. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:YACLQRRMGMJLJV-UHFFFAOYSA-N
Wikipedia Chloroprene

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL555660



ACToR 126-99-8
ChEBI 39481
EPA CompTox Dashboard DTXSID5020316
FDA SRS 42L93DWV3A
IBM Patent System CF6A25471E4183E0D16D808B5DFA947F
KEGG Ligand C19502 C19208
Nikkaji J384K
PubChem 31369
PubChem: Thomson Pharma 14793655
SureChEMBL SCHEMBL20161
ZINC ZINC000001561508

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