hypoxanthine   Click here for help

GtoPdb Ligand ID: 4555

PDB Ligand
Compound class: Metabolite
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 0
Topological polar surface area 74.43
Molecular weight 136.04
XLogP 1.44
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES O=c1nc[nH]c2c1[nH]cn2
Isomeric SMILES O=c1nc[nH]c2c1[nH]cn2
InChI InChI=1S/C5H4N4O/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10)
InChI Key FDGQSTZJBFJUBT-UHFFFAOYSA-N
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InChI standard identifier Download
InChI standard key Download

Molecular structure representations generated using Open Babel