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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL461349
CHEMBL461349
Compound Name PICLORAM
ChEMBL Synonyms Picloram
Max Phase 0
Trade Names
Molecular Formula C6H3Cl3N2O2

Additional synonyms for CHEMBL461349 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Nc1c(Cl)c(Cl)nc(C(=O)O)c1Cl
Standard InChI InChI=1S/C6H3Cl3N2O2/c7-1-3(10)2(8)5(9)11-4(1)6(12)13/h(H2,1 ...
Download InChI
Standard InChI Key NQQVFXUMIDALNH-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL461349

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
241.5 239.926 2.19 1 76.21 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 0 4 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
1.93 - 2.81 -.34 1 13 0.74

Structural Alerts

There are 6 structural alerts for CHEMBL461349. To view alerts please click here.

Compound Cross References

HRAC O - ACTION LIKE INDOLE ACETIC ACID (SYNTHETIC AUXINS)
O3 - PYRIDINE CARBOXYLIC ACID
O33 - PICLORAM
ChemSpider ChemSpider:NQQVFXUMIDALNH-UHFFFAOYSA-N
PubChem SID: 144207241 SID: 144208496 SID: 144211365 SID: 17388775 SID: 26752970 SID: 26752971
Wikipedia Picloram

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL461349



ACToR 1918-02-1
ChEBI 34922
eMolecules 489794
EPA CompTox Dashboard DTXSID1021160
FDA SRS O7437X49DW
IBM Patent System C74C47B508B584EBEB695E061E9A11EA
KEGG Ligand C14310
Mcule MCULE-7113663407
MolPort MolPort-000-478-292
Nikkaji J3.383I
PubChem 15965
PubChem: Thomson Pharma 14774066
SureChEMBL SCHEMBL13299
ZINC ZINC000001237662

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