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ScientificNameLabel
skatole
PHCD compound ID : 3978
Chemical Names :
3-Methylindole , skatole
Molecular Formula : C9H9N1
Molecular Weight : 131.073499
More Details :
Names & Synonyms: 3-methyl-1H-indole , skatole
Smiles: Cc1c[nH]c2c1cccc2
InChi : InChI=1S/C9H9N/c1-7-6-10-9-5-3-2-4-8(7)9/h2-6,10H,1H3
InChi Key : InChIKey=ZFRKQXVRDFCRJG-UHFFFAOYSA-N
PubChem ID : 6736
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 8.356377
Hydrogen bond donor count : 1 Electric dipole moment : 1.631
XLogP : 1.604 VDW volume : 118.158328
Molecular weight : 131.073499 HOMO-LUMO gap : 8.384000
Herb list :
Refrences & Litretures:
  
544.      Journal:'International Journal of Food Properties'      Year:'2013'      Volume:'16'      Page:'18'      DOI:'10.1080/10942912.2010.513616'      Title:'Pakistani Bell Pepper (Capsicum annum L.): Chemical Compositions and its Antioxidant Activity'
753.      Journal:'Journal of Essential Oil Research'      Year:'2006'      Volume:'18'      Page:'508'      DOI:'org/10.1080/10412905.2006.9699155'      Title:'Identification of the Key Aroma Compounds in Dried Roots of Isatis tinctoria'
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