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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2260719
CHEMBL2260719
Compound Name BENZOYL CHLORIDE
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C7H5ClO

Additional synonyms for CHEMBL2260719 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES ClC(=O)c1ccccc1
Standard InChI InChI=1S/C7H5ClO/c8-7(9)6-4-2-1-3-5-6/h1-5H
Standard InChI Key PASDCCFISLVPSO-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2260719

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
140.6 140.0029 2.07 1 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
- - 1.69 1.69 1 9 0.55

Structural Alerts

There are 7 structural alerts for CHEMBL2260719. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:PASDCCFISLVPSO-UHFFFAOYSA-N
PubChem SID: 144207629

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2260719



ACToR 98-88-4
Brenda 108727
ChEBI 82275
ChemicalBook CB8854753
eMolecules 480353
EPA CompTox Dashboard DTXSID9026631
FDA SRS VTY8706W36
IBM Patent System 0DA7E1483DE1F1CE12F731BE41527913
KEGG Ligand C19168
Mcule MCULE-3627399529
MolPort MolPort-001-768-889
Nikkaji J3.987J
NMRShiftDB 10005870
PubChem 7412
PubChem: Thomson Pharma 14747766
SureChEMBL SCHEMBL1241
ZINC ZINC000002041164

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