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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL348107
CHEMBL348107
Compound Name ACRYLAMIDE
ChEMBL Synonyms Acrylamide
Max Phase 0
Trade Names
Molecular Formula C3H5NO

Additional synonyms for CHEMBL348107 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NC(=O)C=C
Standard InChI InChI=1S/C3H5NO/c1-2-3(4)5/h2H,1H2,(H2,4,5)
Standard InChI Key HRPVXLWXLXDGHG-UHFFFAOYSA-N

Structural Alerts

There are 7 structural alerts for CHEMBL348107. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL348107

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
71.1 71.0371 -0.14 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
- - -.56 -.56 0 5 0.43

Compound Cross References

ChemSpider ChemSpider:HRPVXLWXLXDGHG-UHFFFAOYSA-N
PubChem SID: 144208724 SID: 144210465 SID: 17389201 SID: 17390063 SID: 26752771
Wikipedia Acrylamide

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL348107



ACToR 79-06-1 9003-05-8
ChEBI 28619
eMolecules 27677485 474884
FDA SRS 20R035KLCI
Guide to Pharmacology 4553
Human Metabolome Database HMDB04296
IBM Patent System B47E31A15657787A80DE7AF7F8FE9E4A 893CFDD4442762878592DD8AC3158804 3E3D890C0D31FA4A244452301DF01F54
KEGG Ligand C01659
Mcule MCULE-4309430654
MolPort MolPort-001-792-135
Nikkaji J2.408B
NMRShiftDB 20096880
PDBe 1HC
PubChem 6579
PubChem: Thomson Pharma 15016458
SureChEMBL SCHEMBL3051
ZINC ZINC00901075

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