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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1234162
CHEMBL1234162
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C6H14O3

Additional synonyms for CHEMBL1234162 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COCCOCCOC
Standard InChI InChI=1S/C6H14O3/c1-7-3-5-9-6-4-8-2/h3-6H2,1-2H3
Standard InChI Key SBZXBUIDTXKZTM-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1234162

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
134.2 134.0943 0.3 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
- - -.45 -.45 0 9 0.49

Structural Alerts

There are 4 structural alerts for CHEMBL1234162. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:SBZXBUIDTXKZTM-UHFFFAOYSA-N
PubChem SID: 144209538 SID: 144210397

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1234162



ACToR 111-96-6
ChEBI 46784
ChemicalBook CB4302276
DrugBank DB02935
eMolecules 475830
EPA CompTox Dashboard DTXSID1024621
FDA SRS M4BH3X0MVZ
IBM Patent System 03808780A2788476DEEFE46DF0734E59
Mcule MCULE-8598811835
MolPort MolPort-001-786-867
Nikkaji J5.118G
NMRShiftDB 10016687
PDBe M2M
PubChem 8150
PubChem: Thomson Pharma 14916059
SureChEMBL SCHEMBL398
ZINC ZINC000001689760

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