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9H-pyrrolo[3',4':3,4]pyrrolo[2,1-alpha]phthalazine-9,11(10H)-dione,10-ethyl-8-phenyl
PHCD compound ID : 5102
Chemical Names :
9H-pyrrolo[3',4':3,4]pyrrolo[2,1-alpha]phthalazine-9,11(10H)-dione,10-ethyl-8-phenyl
Molecular Formula : C21H15N3O2
Molecular Weight : 341.116427
More Details :
Names & Synonyms:
Smiles: CCn1c(=O)c2c(c1=O)c(n1c2c2ccccc2cn1)c1ccccc1
InChi : InChI=1S/C21H15N3O2/c1-2-23-20(25)16-17(21(23)26)19-15-11-7-6-10-14(15)12-22-24(19)18(16)13-8-4-3-5-9-13/h3-12H,2H2,1H3
InChi Key : InChIKey=CNBYBCSRFIRUPB-UHFFFAOYSA-N
PubChem ID :
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 5 Ionization potential : 8.978807
Hydrogen bond donor count : 0 Electric dipole moment : 4.914
XLogP : 2.399 VDW volume : 298.859531
Molecular weight : 341.116427 HOMO-LUMO gap : 7.607000
Herb list :
Refrences & Litretures:
  
806.      Journal:'Immunopharmacology and Immunotoxicology'      Year:'2012'      Volume:'34'      Page:'205'      DOI:'10.3109/08923973.2011.592534'      Title:'Chemical composition, antioxidant activity and larvicidal efects of essential oil from leaves of Apium graveolens'
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