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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2131110
CHEMBL2131110
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C10H22O3

Additional synonyms for CHEMBL2131110 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCCCOCCOCCO
Standard InChI InChI=1S/C10H22O3/c1-2-3-4-5-7-12-9-10-13-8-6-11/h11H,2-10H2 ...
Download InChI
Standard InChI Key GZMAAYIALGURDQ-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL2131110

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
190.3 190.1569 1.59 10 38.69 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 3 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 1.62 1.62 0 13 0.53

Structural Alerts

There are 4 structural alerts for CHEMBL2131110. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:GZMAAYIALGURDQ-UHFFFAOYSA-N
PubChem SID: 144209344 SID: 144213425 SID: 26757550

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2131110



ACToR 112-59-4
eMolecules 496012
EPA CompTox Dashboard DTXSID4026921
FDA SRS Z6X09N6YJL
IBM Patent System 7AD2F8D9AD3C2DD830553E3EFDAA43BB
Mcule MCULE-8195636539
MolPort MolPort-003-929-565
Nikkaji J36.821K
NMRShiftDB 20200193
PubChem 8199
PubChem: Thomson Pharma 16106477
SureChEMBL SCHEMBL24452
ZINC ZINC000001596061

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