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ScientificNameLabel
N9-formylharman
PHCD compound ID : 2437
Chemical Names :
N9-formylharman
Molecular Formula : C13H10N2O1
Molecular Weight : 210.079313
More Details :
Names & Synonyms:
Smiles: O=Cn1c2c(C)nccc2c2c1cccc2
InChi : InChI=1S/C13H10N2O/c1-9-13-11(6-7-14-9)10-4-2-3-5-12(10)15(13)8-16/h2-8H,1H3
InChi Key : InChIKey=FDXLVPPYMRNNKU-UHFFFAOYSA-N
PubChem ID :
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 3 Ionization potential : 8.918865
Hydrogen bond donor count : 0 Electric dipole moment : 0.972
XLogP : 0.275 VDW volume : 175.963419
Molecular weight : 210.079313 HOMO-LUMO gap : 7.981000
Herb list :
Refrences & Litretures:
  
277.      Journal:'Drug Discoveries & Therapeutics'      Year:'2015'      Volume:'9'      Page:'23'      DOI:'10.5582/ddt.2015.01004'      Title:'Chemical constituents and bioactivities of Panax ginseng (C. A. Mey.)'
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