acrylamide   Click here for help

GtoPdb Ligand ID: 4553

PDB Ligand
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 1
Topological polar surface area 43.09
Molecular weight 71.04
XLogP -0.52
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES NC(=O)C=C
Isomeric SMILES NC(=O)C=C
InChI InChI=1S/C3H5NO/c1-2-3(4)5/h2H,1H2,(H2,4,5)
InChI Key HRPVXLWXLXDGHG-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
prop-2-enamide
Database Links Click here for help
CAS Registry No. 79-06-1 (source: Scifinder)
ChEBI CHEBI:28619
ChEMBL Ligand CHEMBL348107
GtoPdb PubChem SID 178101274
PubChem CID 6579
RCSB PDB Ligand 1HC
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Wikipedia Acrylamide