guvacine   

GtoPdb Ligand ID: 4691

Comment: A pyridine alkaloid found in the Areca nut.
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 1
Topological polar surface area 49.33
Molecular weight 127.06
XLogP 0.04
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES OC(=O)C1=CCCNC1
Isomeric SMILES OC(=O)C1=CCCNC1
InChI InChI=1S/C6H9NO2/c8-6(9)5-2-1-3-7-4-5/h2,7H,1,3-4H2,(H,8,9)
InChI Key QTDZOWFRBNTPQR-UHFFFAOYSA-N