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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1476236
CHEMBL1476236
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C7H16O3

Additional synonyms for CHEMBL1476236 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCOC(OCC)OCC
Standard InChI InChI=1S/C7H16O3/c1-4-8-7(9-5-2)10-6-3/h7H,4-6H2,1-3H3
Standard InChI Key GKASDNZWUGIAMG-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1476236

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
148.2 148.1099 1.38 6 27.69 -


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
- - 1.47 1.47 0 10 0.53

Structural Alerts

There are 3 structural alerts for CHEMBL1476236. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:GKASDNZWUGIAMG-UHFFFAOYSA-N
PubChem SID: 29217785

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1476236



ACToR 108055-42-1 122-51-0
ChemicalBook CB4126252
eMolecules 496370
EPA CompTox Dashboard DTXSID8041957
FDA SRS 355LRR361Q
IBM Patent System AF7D22D54C961B92105FCA462469E504
Mcule MCULE-3222850541
MolPort MolPort-000-871-980
Nikkaji J5.533F
NMRShiftDB 10016724
PubChem 31214
PubChem: Thomson Pharma 14747856
SureChEMBL SCHEMBL18928
ZINC ZINC000000391827

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