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ScientificNameLabel
actinidine
PHCD compound ID : 4756
Chemical Names :
actinidine
Molecular Formula : C10H13N1
Molecular Weight : 147.104799
More Details :
Names & Synonyms: (7S)-4,7-dimethyl-6,7-dihydro-5H-cyclopenta[c]pyridine , (7S)-4,7-dimethyl-2-pyrindan
Smiles: C[C@H]1CCc2c1cncc2C
InChi : InChI=1S/C10H13N/c1-7-3-4-9-8(2)5-11-6-10(7)9/h5-7H,3-4H2,1-2H3/t7-/m0/s1
InChi Key : InChIKey=ZHQQRIUYLMXDPP-ZETCQYMHSA-N
PubChem ID : 68231
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.541185
Hydrogen bond donor count : 0 Electric dipole moment : 3.593
XLogP : 1.236 VDW volume : 148.990772
Molecular weight : 147.104799 HOMO-LUMO gap : 9.624000
Herb list :
Refrences & Litretures:
  
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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