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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

Structural Alerts

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

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

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
BindinDB 7873
eMolecules 530589
FDA SRS 88B5039IQG
Guide to Pharmacology 6285
IBM Patent System 2F0427D563ECDE7D9EB1C10522C50202
IBM Patents US5194631 EP1953148A1 EP1913010A1 EP0123160B1 EP0827943A1 US5852049 US4264710 US20090190107 WO2008147669A2 US3932338 EP1491633A1 US5242928 US5153321 WO2004085662A1 WO2000001697A1 US4808624 US20020010085 EP2178959A1 WO2001079180A2 US3952002 EP0736509A3 US5013768 US4157261 US20050123870 EP0046331A2 EP1553092A1 EP0295211B1 EP2185536A1 US4883866 US4233467 WO2001074797A1 US5100460 WO2001018548A2 WO2004078152A1 WO2002004455A2 US7560582 WO1999065897A1 US20060211675 US4038406 US5559277 US5753660 US4239897 EP2245056A2 US5220021 US4754021 US4395496 US7465798 WO2005035540A2 EP0550576A1 EP0337019A1 US20060111593 US5380765 EP2008210A1 EP2067594A1 US6962999 US3947413 US7745856 US20090036688 US20060178530 US20100069684 US5646232 WO2000052081A1 US3400126 EP0678519B1 US20030139486 WO2000043362A1 US4235923 US7589196 WO2004052939A2 US20040171119 US20060111385 EP1566384B1 US20060111395 WO2003050261A2 US5656638 EP0391107A1 US4075206 US5910427 WO1996018932A1 US4816260 EP0097425A2 US4130708 US4360582 EP1873174B1 US4298532 EP1560068B1 US4486489 WO2003043624A1 US4526608 US20030100760 EP1984002B1 EP0751224B1 EP1276742B1 WO2000061563A1 US20040106732 WO1999045514A1 US20020032230 WO2006014942A1 US7842696 EP1756131A2
Mcule MCULE-1687900460
MolPort MolPort-000-913-150
Nikkaji J2.629H
PubChem 10757
PubChem: Thomson Pharma 15091111
SureChEMBL SCHEMBL55444
ZINC ZINC01673519

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