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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL467389
CHEMBL467389
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C10H8O4

Additional synonyms for CHEMBL467389 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(=O)\C(=C\C(=O)c1ccccc1)\O
Standard InChI InChI=1S/C10H8O4/c11-8(6-9(12)10(13)14)7-4-2-1-3-5-7/h1-6,12 ...
Download InChI
Standard InChI Key MNQJVITWJHOBFE-TWGQIWQCSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL467389

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
192.2 192.0423 1.4 3 74.6 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 2 0 4 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.33 - 1.93 -1.45 1 14 0.43

Structural Alerts

There are 6 structural alerts for CHEMBL467389. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:MNQJVITWJHOBFE-TWGQIWQCSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL467389



eMolecules 26244039
MolPort MolPort-000-895-174
Nikkaji J917.394C J2.840.738F
PubChem: Thomson Pharma 15712374
SureChEMBL SCHEMBL3305717
ZINC ZINC000100246997

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