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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL105712
CHEMBL105712
Compound Name PHENACYL CHLORIDE
ChEMBL Synonyms 1-Chloroacetophenone
Max Phase 0
Trade Names
Molecular Formula C8H7ClO

Additional synonyms for CHEMBL105712 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES ClCC(=O)c1ccccc1
Standard InChI InChI=1S/C8H7ClO/c9-6-8(10)7-4-2-1-3-5-7/h1-5H,6H2
Standard InChI Key IMACFCSSMIZSPP-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL105712

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
154.6 154.0185 2.1 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
- - 1.72 1.72 1 10 0.47

Structural Alerts

There are 13 structural alerts for CHEMBL105712. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:IMACFCSSMIZSPP-UHFFFAOYSA-N
PubChem SID: 144209273 SID: 144210365 SID: 17389975 SID: 26752938
Wikipedia Phenacyl_chloride

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL105712



ACToR 8007-12-3 532-27-4
BindingDB 7873
Brenda 89316 78494 15678 101919
eMolecules 530589
EPA CompTox Dashboard DTXSID9020293
FDA SRS 88B5039IQG
Guide to Pharmacology 6285
IBM Patent System 2F0427D563ECDE7D9EB1C10522C50202
Mcule MCULE-1687900460
MolPort MolPort-000-913-150
Nikkaji J2.629H
PubChem 10757
PubChem: Thomson Pharma 15091111
SureChEMBL SCHEMBL55444
ZINC ZINC000001673519

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