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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL276518
CHEMBL276518
Compound Name MORPHOLINE
ChEMBL Synonyms Morpholine
Max Phase 0
Trade Names
Molecular Formula C4H9NO

Additional synonyms for CHEMBL276518 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C1COCCN1
Standard InChI InChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2
Standard InChI Key YNAVUWVOSKDBBP-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL276518

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
87.1 87.0684 -0.39 0 21.26 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 0 2 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 8.97 -.79 -2.36 0 6 0.43

Structural Alerts

There are no structural alerts for CHEMBL276518

Compound Cross References

ChemSpider ChemSpider:YNAVUWVOSKDBBP-UHFFFAOYSA-N
PubChem SID: 144209648 SID: 144213557
Wikipedia Morpholine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL276518



ACToR 15022-18-1 61791-40-0 110-91-8
Brenda 7487
ChEBI 34856
ChemicalBook CB9241419
eMolecules 480820
EPA CompTox Dashboard DTXSID2025688
FDA SRS 8B2ZCK305O
Human Metabolome Database HMDB0031581
IBM Patent System B2CE9FFBE1871E2A6D47135895C9DA19
KEGG Ligand C14452
Mcule MCULE-4684386765
MolPort MolPort-000-871-528
Nikkaji J2.453H
NMRShiftDB 10016069
PDBe 6LR
PubChem 8083
PubChem: Thomson Pharma 15218662
SureChEMBL SCHEMBL986
ZINC ZINC000001699948

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