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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL117213
CHEMBL117213
Compound Name PROPENE
ChEMBL Synonyms Propene
Max Phase 0
Trade Names
Molecular Formula C3H6

Additional synonyms for CHEMBL117213 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC=C
Standard InChI InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3
Standard InChI Key QQONPFPTGQHPMA-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL117213

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
42.1 42.047 1.35 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
- - 1.83 1.83 0 3 0.36

Structural Alerts

There are 3 structural alerts for CHEMBL117213. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:QQONPFPTGQHPMA-UHFFFAOYSA-N
Wikipedia Propene

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL117213



ACToR 115-07-1
Brenda 107584 4347 6017
ChEBI 16052
eMolecules 486189
EPA CompTox Dashboard DTXSID5021205
FDA SRS AUG1H506LY
IBM Patent System 4C46796584B926C9D3AB84E1EA4D81F1 865B0924F9A7F47004BDF9DD1C8CF10E C97DBBCA26CB97424045E0029169091B 07D4457A449D90B9FBEB0AEEB8A4034E AA8DBF5EF8283F3E45EBBA8C893EE72E
KEGG Ligand C11505
Nikkaji J2.463E
NMRShiftDB 21286
PubChem 8252
PubChem: Thomson Pharma 15119561
Rhea 16052
SureChEMBL SCHEMBL193

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