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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL155926
CHEMBL155926
Compound Name 1,3-DICHLOROPROPENE
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C3H4Cl2

Additional synonyms for CHEMBL155926 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES ClC\C=C\Cl
Standard InChI InChI=1S/C3H4Cl2/c4-2-1-3-5/h1-2H,3H2/b2-1+
Standard InChI Key UOORRWUZONOOLO-OWOJBTEDSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL155926

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
111 109.969 1.98 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
- - 1.99 1.99 0 5 0.45

Structural Alerts

There are 10 structural alerts for CHEMBL155926. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:UOORRWUZONOOLO-OWOJBTEDSA-N
PubChem SID: 17389468
Wikipedia 1,3-Dichloropropene

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL155926



ACToR 542-75-6 10061-02-6
Brenda 207190 48249
ChEBI 18624
ChemicalBook CB6324649 CB4324650
eMolecules 513388
EPA CompTox Dashboard DTXSID2042480
FDA SRS 21UG87ODPI
Human Metabolome Database HMDB0013592
KEGG Ligand C06609 C18627
MolPort MolPort-002-462-161
Nikkaji J4.434B J3.292A
NMRShiftDB 20030848
PubChem 24726
PubChem: Thomson Pharma 15321182
SureChEMBL SCHEMBL33876
ZINC ZINC000001530489

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