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ScientificNameLabel
isohexenylnaphthazarin ester
PHCD compound ID : 5541
Chemical Names :
isohexenylnaphthazarin ester
Molecular Formula : C17H15O5
Molecular Weight : 300.099774
More Details :
Names & Synonyms:
Smiles: O=C(Oc1ccc(c2c1C(=O)C=CC2=O)O)CCC=C(C)C
InChi : InChI=1S/C17H15O5/c1-10(2)4-3-5-15(21)22-14-9-8-12(19)16-11(18)6-7-13(20)17(14)16/h4,6,8-9,19H,3,5H2,1-2H3
InChi Key : InChIKey=IZBIHJSOCCHEES-UHFFFAOYSA-N
PubChem ID :
Rotatable bond count : 5 Rule of five : 0
Hydrogen bond acceptor count : 5 Ionization potential : 9.516679
Hydrogen bond donor count : 1 Electric dipole moment : 2.282
XLogP : 1.71 VDW volume : 289.834744
Molecular weight : 300.099774 HOMO-LUMO gap : 7.471000
Herb list :
Refrences & Litretures:
  
935.      Journal:'Med Glas (Zenica)'      Year:'2018'      Volume:'15'      Page:'1'      DOI:'10.17392/926-18'      Title:'The traditional medicine aspects, biological activity and phytochemistry of Arnebia spp'
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