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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL460296
CHEMBL460296
Compound Name FENOPROP
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C9H7Cl3O3

Additional synonyms for CHEMBL460296 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(Oc1cc(Cl)c(Cl)cc1Cl)C(=O)O
Standard InChI InChI=1S/C9H7Cl3O3/c1-4(9(13)14)15-8-3-6(11)5(10)2-7(8)12/h2 ...
Download InChI
Standard InChI Key ZLSWBLPERHFHIS-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL460296

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
269.5 267.9461 3.77 3 46.53 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 3 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.93 - 3.45 -.22 1 15 0.85

Structural Alerts

There are 1 structural alerts for CHEMBL460296. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ZLSWBLPERHFHIS-UHFFFAOYSA-N
PubChem SID: 144207959 SID: 26754630
Wikipedia Fenoprop

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL460296



ACToR 32795-97-4 93-72-1
ChEBI 34758
eMolecules 510289
EPA CompTox Dashboard DTXSID0021387
IBM Patent System 9BBEF0EAF0E9E151771F89EE99BE2F6B
KEGG Ligand C14532
Mcule MCULE-1681471418
MolPort MolPort-003-802-449
Nikkaji J330.861H J4.683C
NMRShiftDB 20041137
PubChem 7158
PubChem: Thomson Pharma 15491274
SureChEMBL SCHEMBL55790

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