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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL193524
CHEMBL193524
Compound Name BUTYROPHENONE
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C10H12O

Additional synonyms for CHEMBL193524 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCC(=O)c1ccccc1
Standard InChI InChI=1S/C10H12O/c1-2-6-10(11)9-7-4-3-5-8-9/h3-5,7-8H,2,6H2, ...
Download InChI
Standard InChI Key FFSAXUULYPJSKH-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL193524

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
148.2 148.0888 2.67 3 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
- - 2.69 2.69 1 11 0.6

Structural Alerts

There are 1 structural alerts for CHEMBL193524. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:FFSAXUULYPJSKH-UHFFFAOYSA-N
PubChem SID: 144212662
Wikipedia Butyrophenone

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL193524



ACToR 495-40-9
Brenda 7566 9792 17829
ChemicalBook CB3167698
eMolecules 479743
EPA CompTox Dashboard DTXSID3047059
FDA SRS 186I11WB5B
IBM Patent System 77F642FC094AF8BAD9F5BDC31C789EB3
Mcule MCULE-1952839528
MolPort MolPort-001-783-853
Nikkaji J43.576G
NMRShiftDB 10024888
PubChem 10315
PubChem: Thomson Pharma 14967736
SureChEMBL SCHEMBL82532
ZINC ZINC000001586755

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