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ScientificNameLabel
2-methyl-4-quinazolinone
PHCD compound ID : 2186
Chemical Names :
2-methyl-4-quinazolinone
Molecular Formula : C9H8N2O1
Molecular Weight : 160.063663
More Details :
Names & Synonyms: 2-methyl-1H-quinazolin-4-one
Smiles: Cc1nc(=O)c2c([nH]1)cccc2
InChi : InChI=1S/C9H8N2O/c1-6-10-8-5-3-2-4-7(8)9(12)11-6/h2-5H,1H3,(H,10,11,12)
InChi Key : InChIKey=FIEYHAAMDAPVCH-UHFFFAOYSA-N
PubChem ID : 15674
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 3 Ionization potential : 9.251501
Hydrogen bond donor count : 1 Electric dipole moment : 7.080
XLogP : 1.175 VDW volume : 146.208857
Molecular weight : 160.063663 HOMO-LUMO gap : 8.602000
Herb list :
Refrences & Litretures:
  
257.      Journal:'J. Agric. Food Chem'      Year:'2012'      Volume:'60'      Page:'9097'      DOI:'10.1021/jf301800x'      Title:'Antioxidant Activities of Extracts from Teas Prepared from Medicinal Plants, Morus alba L., Camellia sinensis L., and Cudrania tricuspidata, and Their Volatile Components'
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