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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL282597
CHEMBL282597
Compound Name 2,6-DICHLOROPHENOL
ChEMBL Synonyms 2,6-Dichlorophenol | 2,6-Dichloro-Phenol
Max Phase 0
Trade Names
Molecular Formula C6H4Cl2O

Additional synonyms for CHEMBL282597 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Oc1c(Cl)cccc1Cl
Standard InChI InChI=1S/C6H4Cl2O/c7-4-2-1-3-5(8)6(4)9/h1-3,9H
Standard InChI Key HOLHYSJJBXSLMV-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL282597

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
163 161.9639 2.92 0 20.23 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
7.02 - 2.9 2.37 1 9 0.62

Structural Alerts

There are no structural alerts for CHEMBL282597

Compound Cross References

ChemSpider ChemSpider:HOLHYSJJBXSLMV-UHFFFAOYSA-N
PubChem SID: 144207973 SID: 17389374
Wikipedia 2,6-Dichlorophenol

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL282597



ACToR 87-65-0
BindingDB 92753
Brenda 5300
ChEBI 28457
eMolecules 500703
EPA CompTox Dashboard DTXSID2025004
FDA SRS Q7E9K52W7E
IBM Patent System 9A45101A1A3593B25E4968185CE62D52
KEGG Ligand C07096
Mcule MCULE-3357384687
MolPort MolPort-001-756-949
Nikkaji J3.540H
NMRShiftDB 10015988
PDBe DUB
PubChem 6899
PubChem: Thomson Pharma 15321764
SureChEMBL SCHEMBL65234
ZINC ZINC000000164836

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