[3H]nicotine   

GtoPdb Ligand ID: 3978

   
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 1
Topological polar surface area 16.13
Molecular weight 162.12
XLogP 1.13
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CN1CCCC1c1cccnc1
Isomeric SMILES CN1CCCC1c1cccnc1
InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3
InChI Key SNICXCGAKADSCV-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
3-(1-methylpyrrolidin-2-yl)pyridine
Database Links
ChEMBL Ligand CHEMBL440464
GtoPdb PubChem SID 178100804
PubChem CID 942
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