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ScientificNameLabel
N-(2',5'-Dihydroxyphenyl)pyridium chloride
PHCD compound ID : 4451
Chemical Names :
N-(2',5'-Dihydroxyphenyl)pyridium chloride
Molecular Formula : C11H10Cl1N1O2
Molecular Weight : 188.071154
More Details :
Names & Synonyms: 2-pyridin-1-ium-1-ylbenzene-1,4-diol;chloride , 2-(1-pyridin-1-iumyl)benzene-1,4-diol;chloride , 2-pyridin-1-ium-1-ylhydroquinone;chloride
Smiles: Oc1ccc(c(c1)n1ccccc1)O.Cl
InChi : InChI=1S/C11H10NO2.Cl/c13-9-4-5-11(14)10(8-9)12-6-2-1-3-7-12;/h1-8,13-14H;
InChi Key : InChIKey=BGQCMAOPPBSLSW-UHFFFAOYSA-N
PubChem ID : 19070376
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 3 Ionization potential : 8.086043
Hydrogen bond donor count : 2 Electric dipole moment : 10.413
XLogP : 1.606 VDW volume : 166.376063
Molecular weight : 188.071154 HOMO-LUMO gap : 6.630000
Herb list :
Refrences & Litretures:
  
658.      Journal:'Journal of Ethnopharmacology'      Year:'2007'      Volume:'109'      Page:'177'      DOI:'10.1016/j.jep.2006.09.006'      Title:'Punica granatum (pomegranate) and its potential for prevention and treatment of in?ammation and cancer'
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