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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL118857
CHEMBL118857
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C7H5IO4

Additional synonyms for CHEMBL118857 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OI1(=O)OC(=O)c2ccccc12
Standard InChI InChI=1S/C7H5IO4/c9-7-5-3-1-2-4-6(5)8(10,11)12-7/h1-4H,(H,10 ...
Download InChI
Standard InChI Key CQMJEZQEVXQEJB-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL118857

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
280 279.9233 1.86 0 63.6 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 0 4 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
-2.86 - - - 1 12 0.74

Structural Alerts

There are 7 structural alerts for CHEMBL118857. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:CQMJEZQEVXQEJB-UHFFFAOYSA-N
Wikipedia 2-Iodoxybenzoic_acid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL118857



ACToR 61717-82-6
BindingDB 50075028
ChEBI 52701
eMolecules 528325
EPA CompTox Dashboard DTXSID00210723
FDA SRS 3K0C43POH0
MolPort MolPort-001-767-879
Nikkaji J825.728K
PubChem 339496
PubChem: Thomson Pharma 16036172
SureChEMBL SCHEMBL23477
ZINC ZINC000058492540

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