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quinoline
ScientificNameLabel
quinoline
PHCD compound ID :
637
Chemical Names :
quinoline
Molecular Formula :
C9H7N1
Molecular Weight :
129.057849
More Details :
Names & Synonyms:
quinoline
Smiles:
c1ccc2c(c1)nccc2
InChi :
InChI=1S/C9H7N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7H
InChi Key :
InChIKey=SMWDFEZZVXVKRB-UHFFFAOYSA-N
PubChem ID :
7047
Rotatable bond count :
0
Rule of five :
0
Hydrogen bond acceptor count :
1
Ionization potential :
9.441903
Hydrogen bond donor count :
0
Electric dipole moment :
2.313
XLogP :
0.874
VDW volume :
115.52187
Molecular weight :
129.057849
HOMO-LUMO gap :
8.614000
Herb list :
Fig - Ficus carica - انجیر، شال انجیر
Refrences & Litretures:
37. Journal:'J. Agric. Food Chem' Year:'2010' Volume:'58' Page:'3393' DOI:'10.1021/jf9039759' Title:'Chemical Assessment and in Vitro Antioxidant Capacity of Ficus carica Latex'
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