ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL367623
CHEMBL367623
Compound Name 2,4-DICHLOROPHENOXYACETIC ACID
ChEMBL Synonyms (2,4-Dichlorophenoxy)Acetic Acid | 2,4-Dichlorophenoxyacetic Acid | 2,4-Dichlorophenyloxyacetic Acid | 2-(2,4-Dichlorophenoxy)Acetic Acid
Max Phase 0
Trade Names
Molecular Formula C8H6Cl2O3

Additional synonyms for CHEMBL367623 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(=O)COc1ccc(Cl)cc1Cl
Standard InChI InChI=1S/C8H6Cl2O3/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H ...
Download InChI
Standard InChI Key OVSKIKFHRZPJSS-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature
  • TP-search Transporter Database

Alternate Forms of Compound in ChEMBL


CHEMBL367623

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
221 219.9694 2.46 3 46.53 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 0 3 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.98 - 2.43 -1.24 1 13 0.85

Structural Alerts

There are no structural alerts for CHEMBL367623

Compound Cross References

HRAC O - ACTION LIKE INDOLE ACETIC ACID (SYNTHETIC AUXINS)
O1 - PHENOXY-CARBOXYLIC-ACID
O12 - 2,4-D
ChemSpider ChemSpider:OVSKIKFHRZPJSS-UHFFFAOYSA-N
PubChem SID: 144208949 SID: 144211207 SID: 17389928 SID: 26752757 SID: 56314831
Wikipedia 2,4-Dichlorophenoxyacetic_acid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL367623



ACToR 94-75-7 15183-39-8
Brenda 44039 109417 114571 29340 5092
ChEBI 28854
ChemicalBook CB8762041
eMolecules 497090
EPA CompTox Dashboard DTXSID0020442
FDA SRS 2577AQ9262
Human Metabolome Database HMDB0041797
IBM Patent System 53D4073A219FAF3FD30EEACC2FB0F5FF
KEGG Ligand C03664
LINCS LSM-19988
Mcule MCULE-7323613760
MolPort MolPort-000-454-068
Nikkaji J3.947K
NMRShiftDB 20039668
PDBe CFA
PubChem 1486
PubChem: Thomson Pharma 15365653
SureChEMBL SCHEMBL27783
ZINC ZINC000000057143

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