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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1235716
CHEMBL1235716
Compound Name PROPIONAMIDE
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C3H7NO

Additional synonyms for CHEMBL1235716 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCC(=O)N
Standard InChI InChI=1S/C3H7NO/c1-2-3(4)5/h2H2,1H3,(H2,4,5)
Standard InChI Key QLNJFJADRCOGBJ-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1235716

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
73.1 73.0528 -0.12 1 43.09 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - -.35 -.35 0 5 0.46

Structural Alerts

There are no structural alerts for CHEMBL1235716

Compound Cross References

ChemSpider ChemSpider:QLNJFJADRCOGBJ-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1235716



ACToR 79-05-0
Brenda 135688 25978 1799 46064
ChEBI 45422
ChemicalBook CB7854392
DrugBank DB04161
eMolecules 481804
EPA CompTox Dashboard DTXSID3058820
FDA SRS QK07G0HP47
IBM Patent System 9F068C0D796072DBA953252E96B38DC9
Mcule MCULE-3730796130
MolPort MolPort-003-926-455
Nikkaji J22.070A
NMRShiftDB 21283
PDBe ROP
PubChem 6578
PubChem: Thomson Pharma 14915912
SureChEMBL SCHEMBL6361
ZINC ZINC000001670847

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