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ScientificNameLabel
Benzyl nitrile
PHCD compound ID : 2613
Chemical Names :
Benzyl nitrile
Molecular Formula : C7H5N1
Molecular Weight : 103.042199
More Details :
Names & Synonyms: benzonitrile , benzenecarbonitrile
Smiles: N#Cc1ccccc1
InChi : InChI=1S/C7H5N/c8-6-7-4-2-1-3-5-7/h1-5H
InChi Key : InChIKey=JFDZBHWFFUWGJE-UHFFFAOYSA-N
PubChem ID : 7505
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 10.332843
Hydrogen bond donor count : 0 Electric dipole moment : 4.230
XLogP : 1.09 VDW volume : 104.186359
Molecular weight : 103.042199 HOMO-LUMO gap : 9.498000
Herb list :
Refrences & Litretures:
  
304.      Journal:'Research Journal of Pharmaceutical, Biological and Chemical Sciences'      Year:'2011'      Volume:'2'      Page:'1136'      DOI:''      Title:'Chemical Composition and Antimicrobial Activity of the Essential Oil from Sinapis alba L. and Sinapis arvensis L. (Brassicaceae) growing wild in Jordan'
894.      Journal:'Natural Product Research: Formerly Natural Product Letters'      Year:'2003'      Volume:'17'      Page:'189'      DOI:'10.1080/1057563021000040790'      Title:'GC-MS Analysis and Bioactivity Testing of the Volatile Oil from the Leaves of the Toothbrush Tree Salvadora persica L'
896.      Journal:'Journal of Essential Oil Research'      Year:'2002'      Volume:'14'      Page:'128'      DOI:'10.1080/10412905.2002.9699795'      Title:'The Composition of the Root Oil of Salvadora persica L'
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