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ScientificNameLabel
Cotinine
PHCD compound ID : 5339
Chemical Names :
Cotinine
Molecular Formula : C10H12N2O1
Molecular Weight : 176.094963
More Details :
Names & Synonyms: (5S)-1-methyl-5-(3-pyridyl)pyrrolidin-2-one , (5S)-1-methyl-5-(3-pyridinyl)-2-pyrrolidinone , (5S)-1-methyl-5-pyridin-3-ylpyrrolidin-2-one , (5S)-1-methyl-5-pyridin-3-ylpyrrolidin-2-one , (5S)-1-methyl-5-pyridin-3-yl-pyrrolidin-2-one , (5S)-1-methyl-5-(3-pyridyl)-2-pyrrolidone
Smiles: O=C1CC[C@H](N1C)c1cccnc1
InChi : InChI=1S/C10H12N2O/c1-12-9(4-5-10(12)13)8-3-2-6-11-7-8/h2-3,6-7,9H,4-5H2,1H3/t9-/m0/s1
InChi Key : InChIKey=UIKROCXWUNQSPJ-VIFPVBQESA-N
PubChem ID : 854019
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 3 Ionization potential : 9.395958
Hydrogen bond donor count : 0 Electric dipole moment : 5.431
XLogP : -0.465 VDW volume : 166.1413
Molecular weight : 176.094963 HOMO-LUMO gap : 8.898000
Herb list :
Refrences & Litretures:
  
870.      Journal:'International Journal of Food Studies'      Year:'2020'      Volume:'9'      Page:'146'      DOI:'10.7455/ijfs/9.1.2020.a2'      Title:'Chemical Constituents in Leaves and Aroma Products of Nicotiana rustica L. Tobacco'
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