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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

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
ChEBI 16052
eMolecules 486189
EPA CompTox Dashboard DTXSID5021205
FDA SRS AUG1H506LY
IBM Patent System 4C46796584B926C9D3AB84E1EA4D81F1 865B0924F9A7F47004BDF9DD1C8CF10E C97DBBCA26CB97424045E0029169091B AA8DBF5EF8283F3E45EBBA8C893EE72E 07D4457A449D90B9FBEB0AEEB8A4034E
KEGG Ligand C11505
MolPort MolPort-001-785-788
Nikkaji J2.463E
NMRShiftDB 21286
PubChem 8252
PubChem: Thomson Pharma 15119561
SureChEMBL SCHEMBL193

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