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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL540990
CHEMBL540990
Compound Name AZIRIDINE
ChEMBL Synonyms Aziridine
Max Phase 0
Trade Names
Molecular Formula C2H5N

Additional synonyms for CHEMBL540990 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C1CN1
Standard InChI InChI=1S/C2H5N/c1-2-3-1/h3H,1-2H2
Standard InChI Key NOWKCMXCCJGMRR-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL540990

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
43.1 43.0422 -0.4 0 21.94 NEUTRAL


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
- 8.14 -.97 -1.78 0 3 0.39

Structural Alerts

There are 8 structural alerts for CHEMBL540990. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:NOWKCMXCCJGMRR-UHFFFAOYSA-N
Wikipedia Aziridine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL540990



ACToR 68130-99-4 68130-98-3 151-56-4 9002-98-6 145379-92-6
Brenda 44121
ChEBI 30969
eMolecules 475731
EPA CompTox Dashboard DTXSID8020599
FDA SRS 54P5FEX9FH
KEGG Ligand C11687
Mcule MCULE-4736867570
MolPort MolPort-001-781-685
Nikkaji J2.966A
NMRShiftDB 10016039
PubChem 9033
PubChem: Thomson Pharma 15296843
SureChEMBL SCHEMBL2267

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