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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL273386
CHEMBL273386
Compound Name 2,4-DINITROPHENOL
ChEMBL Synonyms SR-1C5
Max Phase 0
Trade Names
Molecular Formula C6H4N2O5

Additional synonyms for CHEMBL273386 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Oc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
Standard InChI InChI=1S/C6H4N2O5/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3,9H
Standard InChI Key UFBJCMHMOXMLKC-UHFFFAOYSA-N

Sources

  • Open TG-GATEs
  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL273386

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
184.1 184.012 1.38 2 111.87 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 1 0 7 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.04 - 1.72 -1.23 1 13 0.55

Structural Alerts

There are 7 structural alerts for CHEMBL273386. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:UFBJCMHMOXMLKC-UHFFFAOYSA-N
PubChem SID: 144208660 SID: 144210350 SID: 17389906 SID: 26747391 SID: 47193722
Wikipedia 2,4-Dinitrophenol

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL273386



ACToR 51-28-5
Atlas dinitrophenol
Brenda 97524 4519 1015
ChEBI 42017
DrugBank DB04528
eMolecules 497156
EPA CompTox Dashboard DTXSID0020523
FDA SRS Q13SKS21MN
IBM Patent System 091A96513B17ECDF43DE8AA5E9D40DC0
KEGG Ligand C02496
LINCS LSM-20951
Mcule MCULE-6678680789
Metabolights MTBLC42017
MolPort MolPort-001-011-561
NMRShiftDB 10015989
PDBe DNF
PubChem 1493
PubChem: Thomson Pharma 15195223
SureChEMBL SCHEMBL77643
ZINC ZINC000012358776

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