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ScientificNameLabel
perylene
PHCD compound ID : 1138
Chemical Names :
perylene , perrylene
Molecular Formula : C20H12
Molecular Weight : 252.0939
More Details :
Names & Synonyms: perylene
Smiles: c1cc2cccc3c2c(c1)c1cccc2c1c3ccc2
InChi : InChI=1S/C20H12/c1-5-13-6-2-11-17-18-12-4-8-14-7-3-10-16(20(14)18)15(9-1)19(13)17/h1-12H
InChi Key : InChIKey=CSHWQDPOILHKBI-UHFFFAOYSA-N
PubChem ID : 9142
Rotatable bond count : 0 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 8.098136
Hydrogen bond donor count : 0 Electric dipole moment : 0.000
XLogP : 5.956 VDW volume : 211.829271
Molecular weight : 252.0939 HOMO-LUMO gap : 6.756000
Herb list :
Refrences & Litretures:
  
117.      Journal:'Rev. Bras. Farmacogn. Braz. J. Pharmacogn'      Year:'2012'      Volume:'22'      Page:'40'      DOI:'10.1590/S0102-695X2011005000186'      Title:'Organic and mineral fertilization and chemical composition of lemon balm (Melissa off cinalis) essential oil'
715.      Journal:'Z Naturforsch C'      Year:'2005'      Volume:'60'      Page:'369'      DOI:''      Title:'Chemical Composition of Hips Essential Oils of Some Rosa L. Species'
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