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ScientificNameLabel
Norpseudopelletierene
PHCD compound ID : 4447
Chemical Names :
Norpseudopelletierene
Molecular Formula : C8H13N1O1
Molecular Weight : 139.099714
More Details :
Names & Synonyms: 9-azabicyclo[3.3.1]nonan-3-one
Smiles: O=C1C[C@@H]2CCC[C@H](C1)N2
InChi : InChI=1S/C8H13NO/c10-8-4-6-2-1-3-7(5-8)9-6/h6-7,9H,1-5H2/t6-,7+
InChi Key : InChIKey=JIYPUEZSSJAXBO-KNVOCYPGSA-N
PubChem ID : 145745
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.410600
Hydrogen bond donor count : 1 Electric dipole moment : 2.043
XLogP : 0.187 VDW volume : 139.361947
Molecular weight : 139.099714 HOMO-LUMO gap : 10.299000
Herb list :
Refrences & Litretures:
  
658.      Journal:'Journal of Ethnopharmacology'      Year:'2007'      Volume:'109'      Page:'177'      DOI:'10.1016/j.jep.2006.09.006'      Title:'Punica granatum (pomegranate) and its potential for prevention and treatment of in?ammation and cancer'
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