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ScientificNameLabel
Tropinone
PHCD compound ID : 1939
Chemical Names :
Tropinone
Molecular Formula : C8H13N1O1
Molecular Weight : 139.099714
More Details :
Names & Synonyms: 8-methyl-8-azabicyclo[3.2.1]octan-3-one
Smiles: CN1[C@@H]2CC[C@H]1CC(=O)C2
InChi : InChI=1S/C8H13NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-7H,2-5H2,1H3/t6-,7+
InChi Key : InChIKey=QQXLDOJGLXJCSE-KNVOCYPGSA-N
PubChem ID : 79038
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.348630
Hydrogen bond donor count : 0 Electric dipole moment : 4.021
XLogP : 0.068 VDW volume : 139.361947
Molecular weight : 139.099714 HOMO-LUMO gap : 10.432000
Herb list :
Refrences & Litretures:
  
231.      Journal:'Fitoterapia'      Year:'2006'      Volume:'77'      Page:'179'      DOI:'10.1016/j.fitote.2006.01.002'      Title:'Alkaloid patterns in some varieties of Datura stramonium'
232.      Journal:'Zeitschrift fur Naturforschung C'      Year:'2003'      Volume:'58'      Page:'42'      DOI:''      Title:'Alkaloid Spectrum in Diploid and Tetraploid Hairy Root Cultures of Datura stramonium'
962.      Journal:'The european agency for the evaluation of medicinal products'      Year:'1998'      Volume:''      Page:''      DOI:''      Title:'committee for veterinary medicinal products ATROPA BELLADONNA'
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