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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2171713
CHEMBL2171713
Compound Name AZETIDINE
ChEMBL Synonyms Azetidine
Max Phase 0
Trade Names
Molecular Formula C3H7N

Additional synonyms for CHEMBL2171713 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C1CNC1
Standard InChI InChI=1S/C3H7N/c1-2-4-3-1/h4H,1-3H2
Standard InChI Key HONIICLYMWZJFZ-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2171713

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
57.1 57.0578 -0.02 0 12.03 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 11.26 -.44 -3.47 0 4 0.41

Structural Alerts

There are no structural alerts for CHEMBL2171713

Compound Cross References

ChemSpider ChemSpider:HONIICLYMWZJFZ-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2171713



ACToR 53860-05-2 156423-81-3 503-29-7
Brenda 58979
ChEBI 30968
ChemicalBook CB5215197
eMolecules 494367
EPA CompTox Dashboard DTXSID8060117
FDA SRS 37S883XDWR
MolPort MolPort-001-791-374
Nikkaji J79.636K
NMRShiftDB 30000584
PubChem 10422
PubChem: Thomson Pharma 15170319
SureChEMBL SCHEMBL12502
ZINC ZINC000014951819

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