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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

Structural Alerts

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

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

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
FDA SRS 42L93DWV3A
IBM Patent System CF6A25471E4183E0D16D808B5DFA947F
KEGG Ligand C19502 C19208
Nikkaji J384K
PubChem 31369
PubChem: Thomson Pharma 14793655
SureChEMBL SCHEMBL20161

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