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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL193446
CHEMBL193446
Compound Name PROPIOPHENONE
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C9H10O

Additional synonyms for CHEMBL193446 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCC(=O)c1ccccc1
Standard InChI InChI=1S/C9H10O/c1-2-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3
Standard InChI Key KRIOVPPHQSLHCZ-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL193446

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
134.2 134.0732 2.24 2 17.07 -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
1 0 0 1 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 2.18 2.18 1 10 0.57

Structural Alerts

There are 1 structural alerts for CHEMBL193446. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:KRIOVPPHQSLHCZ-UHFFFAOYSA-N
PubChem SID: 144212342
Wikipedia Propiophenone

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL193446



ACToR 93-55-0
Brenda 195224 4109 175096 145208 107045
ChEBI 425902
eMolecules 531081
EPA CompTox Dashboard DTXSID2044470
FDA SRS E599A8OKQH
Human Metabolome Database HMDB0032623
IBM Patent System AAB7B5E85D899A2B9F3D945E06627DC1
Mcule MCULE-1646597293
MolPort MolPort-000-871-248
Nikkaji J22.071J
NMRShiftDB 10008776
PDBe I1E
PubChem 7148
PubChem: Thomson Pharma 14891531
SureChEMBL SCHEMBL76464
ZINC ZINC000001747833

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