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Bicycloheptane
ScientificNameLabel
Bicycloheptane
PHCD compound ID :
1082
Chemical Names :
Bicyclo heptane , Bicycloheptane
Molecular Formula :
C14H26
Molecular Weight :
194.203451
More Details :
Names & Synonyms:
cycloheptylcycloheptane
Smiles:
C1CCCCC(C1)C1CCCCCC1
InChi :
InChI=1S/C14H26/c1-2-6-10-13(9-5-1)14-11-7-3-4-8-12-14/h13-14H,1-12H2
InChi Key :
InChIKey=ARUKYTASOALXFG-UHFFFAOYSA-N
PubChem ID :
141010
Rotatable bond count :
1
Rule of five :
1
Hydrogen bond acceptor count :
0
Ionization potential :
10.388386
Hydrogen bond donor count :
0
Electric dipole moment :
0.041
XLogP :
7.504
VDW volume :
225.987326
Molecular weight :
194.203451
HOMO-LUMO gap :
14.318000
Herb list :
Moldavian balm, Moldavian dragon head - Dracocephalum moldavica - بادرشبی، بادرنجبویه، شاطرامرزه
Rosemary, Moorwort - Rosmarinus officinalis - رومارن، رزماری، رمارن
Refrences & Litretures:
111. Journal:'Pharmaceutical sciences' Year:'2013' Volume:'18' Page:'187' DOI:'' Title:'Chemical Composition and Antinociceptive Effect of the Essential Oil of Dracocephalum moldavica L'
355. Journal:'Iranian Journal of Fisheries Sciences' Year:'2013' Volume:'12' Page:'702' DOI:'' Title:'Evaluation of the chemical composition and in vitro antimicrobial activity of Rosmarinus officinalis, Zataria multiflora, Anethum graveolens and Eucalyptus globulus against Streptococcus iniae; the cause of zoonotic disease in farmed fish'
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