acrolein   Click here for help

GtoPdb Ligand ID: 2418

Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 1
Hydrogen bond donors 0
Rotatable bonds 1
Topological polar surface area 17.07
Molecular weight 56.03
XLogP 0.29
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES C=CC=O
Isomeric SMILES C=CC=O
InChI InChI=1S/C3H4O/c1-2-3-4/h2-3H,1H2
InChI Key HGINCPLSRVDWNT-UHFFFAOYSA-N
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Isomeric SMILES Download
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InChI standard key Download

Molecular structure representations generated using Open Babel