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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1495792
CHEMBL1495792
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C3H6O3

Additional synonyms for CHEMBL1495792 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C1OCOCO1
Standard InChI InChI=1S/C3H6O3/c1-4-2-6-3-5-1/h1-3H2
Standard InChI Key BGJSXRVXTHVRSN-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1495792

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
90.1 90.0317 -0.08 0 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
- - -.59 -.59 0 6 0.42

Structural Alerts

There are no structural alerts for CHEMBL1495792

Compound Cross References

ChemSpider ChemSpider:BGJSXRVXTHVRSN-UHFFFAOYSA-N
PubChem SID: 144208140 SID: 17389598

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1495792



ACToR 110-88-3
ChEBI 38043
ChemicalBook CB5763739
eMolecules 532904
EPA CompTox Dashboard DTXSID4021925
FDA SRS 46BNU65YNY
IBM Patent System CC2EA8DEE949FDB977ABE879769C85D8
Mcule MCULE-9548551067
MolPort MolPort-003-939-763
Nikkaji J2.452J
NMRShiftDB 10016074
PubChem 8081
PubChem: Thomson Pharma 15194207
SureChEMBL SCHEMBL22490
ZINC ZINC000005134811

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