acrylamide   

GtoPdb Ligand ID: 4553

Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
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
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
References
1. Zhao D, Sonawane ND, Levin MH, Yang B. (2007)
Comparative transport efficiencies of urea analogues through urea transporter UT-B.
Biochim. Biophys. Acta, 1768 (7): 1815-21. [PMID:17506977]