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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1566369
CHEMBL1566369
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C8H14O3

Additional synonyms for CHEMBL1566369 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCC(=O)OC(=O)CCC
Standard InChI InChI=1S/C8H14O3/c1-3-5-7(9)11-8(10)6-4-2/h3-6H2,1-2H3
Standard InChI Key YHASWHZGWUONAO-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1566369

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
158.2 158.0943 1.66 4 43.37 -


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 1.88 1.88 0 11 0.46

Structural Alerts

There are 11 structural alerts for CHEMBL1566369. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:YHASWHZGWUONAO-UHFFFAOYSA-N
PubChem SID: 144208284 SID: 17389129 SID: 26752868

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1566369



ACToR 106-31-0
eMolecules 486467
EPA CompTox Dashboard DTXSID8026729
FDA SRS A88LE742VX
IBM Patent System 2F57398D745179DBC5DCCE2CA1D7F54D
Mcule MCULE-7605031104
MolPort MolPort-000-872-011
Nikkaji J5.050D
NMRShiftDB 10016808
PubChem 7798
PubChem: Thomson Pharma 14769500
SureChEMBL SCHEMBL8158
ZINC ZINC000008585875

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