[3H]cytisine   

GtoPdb Ligand ID: 3979

   
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 0
Topological polar surface area 34.03
Molecular weight 190.11
XLogP 1.25
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES O=c1cccc2n1CC1CNCC2C1
Isomeric SMILES c1([3H])cc([3H])c(=O)n2c1[C@H]1CNC[C@H](C1)C2
InChI InChI=1S/C11H14N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h1-3,8-9,12H,4-7H2/t8-,9+/m0/s1/i2T,3T
InChI Key ANJTVLIZGCUXLD-ZIAKYUPESA-N
Classification
Compound class Synthetic organic
Database Links
ChEMBL Ligand CHEMBL1628606
GtoPdb PubChem SID 178100805
PubChem CID 53321937
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