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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1606435
CHEMBL1606435
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C2H2O2

Additional synonyms for CHEMBL1606435 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O=CC=O
Standard InChI InChI=1S/C2H2O2/c3-1-2-4/h1-2H
Standard InChI Key LEQAOMBKQFMDFZ-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1606435

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
58 58.0055 -0.39 1 34.14 -


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - -.55 -.55 0 4 0.3

Structural Alerts

There are 10 structural alerts for CHEMBL1606435. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:LEQAOMBKQFMDFZ-UHFFFAOYSA-N
PubChem SID: 144204656 SID: 144209715 SID: 17388985

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1606435



ACToR 107-22-2 9005-91-8
Brenda 1444 44194 49311
ChEBI 34779
eMolecules 480303
EPA CompTox Dashboard DTXSID5025364
FDA SRS 50NP6JJ975
IBM Patent System B9CF58964453BE359E619CCCFA017C3A
KEGG Ligand C14448
Mcule MCULE-3212938778
MolPort MolPort-001-780-154
Nikkaji J5.155A
PDBe GXT
PubChem 7860
PubChem: Thomson Pharma 15296857
Rhea 34779
SureChEMBL SCHEMBL18285
ZINC ZINC000008437750

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