(RS)-(tetrazol-5-yl)glycine   

GtoPdb Ligand ID: 4068

Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 2
Topological polar surface area 117.78
Molecular weight 143.04
XLogP -2.95
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES OC(=O)C(c1nnn[nH]1)N
Isomeric SMILES OC(=O)C(c1nnn[nH]1)N
InChI InChI=1S/C3H5N5O2/c4-1(3(9)10)2-5-7-8-6-2/h1H,4H2,(H,9,10)(H,5,6,7,8)
InChI Key UKBRUIZWQZHXFL-UHFFFAOYSA-N
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Isomeric SMILES Download
InChI standard identifier Download
InChI standard key Download

Molecular structure representations generated using Open Babel