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ScientificNameLabel
niacin
PHCD compound ID : 726
Chemical Names :
niacin
Molecular Formula : C6H5N1O2
Molecular Weight : 123.032028
More Details :
Names & Synonyms: nicotinic acid , 3-pyridinecarboxylic acid , pyridine-3-carboxylic acid
Smiles: OC(=O)c1cccnc1
InChi : InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)
InChi Key : InChIKey=PVNIIMVLHYAWGP-UHFFFAOYSA-N
PubChem ID : 938
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 3 Ionization potential : 10.719978
Hydrogen bond donor count : 1 Electric dipole moment : 1.115
XLogP : -0.508 VDW volume : 107.107287
Molecular weight : 123.032028 HOMO-LUMO gap : 9.573000
Herb list :
Refrences & Litretures:
  
48.      Journal:'J. Agric. Food Chem'      Year:'2004'      Volume:'52'      Page:'1375'      DOI:'10.1021/jf035218u'      Title:'The Composition of Grain and Forage from Glyphosate Tolerant Wheat MON 71800 Is Equivalent to That of Conventional Wheat (Triticum aestivum L.)'
309.      Journal:'BioMed Research International'      Year:'2015'      Volume:''      Page:'925631'      DOI:'10.1155/2015/925631'      Title:'Portulaca oleracea L.: A Review of Phytochemistry and Pharmacological Effects'
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