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9-Thiabicyclo[3.3.1]non-7-en-2-ol
PHCD compound ID : 5138
Chemical Names :
9-Thiabicyclo[3.3.1]non-7-en-2-ol
Molecular Formula : C8H12O1S1
Molecular Weight : 156.060886
More Details :
Names & Synonyms: 9-thiabicyclo[3.3.1]non-7-en-2-ol
Smiles: O[C@H]1CC[C@@H]2S[C@H]1C=CC2
InChi : InChI=1S/C8H12OS/c9-7-5-4-6-2-1-3-8(7)10-6/h1,3,6-9H,2,4-5H2/t6-,7+,8+/m1/s1
InChi Key : InChIKey=QWZTWACTBQUFFE-CSMHCCOUSA-N
PubChem ID : 567384
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 8.587888
Hydrogen bond donor count : 1 Electric dipole moment : 0.992
XLogP : 1.107 VDW volume : 146.87421
Molecular weight : 156.060886 HOMO-LUMO gap : 8.557000
Herb list :
Refrences & Litretures:
  
813.      Journal:'J Biomedical Sci'      Year:'2018'      Volume:'7'      Page:'1'      DOI:'10.4172/2254-609X.100089'      Title:'Antioxidative Activity Of Essential Oil Of Flowers Of Tea (Camellia Sinensis L.) Plants Extracted By Supercritical Carbon Dioxide'
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