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ChEMBL Statistics
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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

Structural Alerts

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

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

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
ChEBI 42017
DrugBank DB04528
eMolecules 497156
FDA SRS Q13SKS21MN
IBM Patent System 091A96513B17ECDF43DE8AA5E9D40DC0
KEGG Ligand C02496
LINCS LSM-20951
Mcule MCULE-6678680789
MolPort MolPort-001-011-561
NMRShiftDB 10015989
PDBe DNF
PubChem 1493
PubChem: Thomson Pharma 15195223
SureChEMBL SCHEMBL77643

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