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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL364893
CHEMBL364893
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C10H8O4

Additional synonyms for CHEMBL364893 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(C(=O)c1occc1)c2occc2
Standard InChI InChI=1S/C10H8O4/c11-9(7-3-1-5-13-7)10(12)8-4-2-6-14-8/h1-6, ...
Download InChI
Standard InChI Key MIJRFWVFNKQQDK-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL364893

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 1.41 3 63.58 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 0 4 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.62 - .54 .54 2 14 0.75

Structural Alerts

There are 1 structural alerts for CHEMBL364893. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:MIJRFWVFNKQQDK-UHFFFAOYSA-N
PubChem SID: 49671581
Wikipedia Furoin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL364893



ACToR 552-86-3
BindingDB 50171923
eMolecules 487137
IBM Patent System 0BBA767672124FE1AB3D47C89423A692
Mcule MCULE-6986585742
MolPort MolPort-000-716-186
Nikkaji J6.723G
NMRShiftDB 30095874
PubChem 11100
PubChem: Thomson Pharma 15291718
SureChEMBL SCHEMBL155225

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