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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

Structural Alerts

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

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

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 ZINC01237662

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