Skip Navigation Links
ScientificNameLabel
propionitrile,2-(3-fluorophenylhydrazono)-3-imino-3-(4-morpholyl)-
PHCD compound ID : 3022
Chemical Names :
propionitrile,2-(3-fluorophenylhydrazono)-3-imino-3-(4-morpholyl)-
Molecular Formula : C13H14F1N5O1
Molecular Weight : 275.118238
More Details :
Names & Synonyms:
Smiles: N#C/C(=N\Nc1cccc(c1)F)/C(=N)N1CCOCC1
InChi : InChI=1S/C13H14FN5O/c14-10-2-1-3-11(8-10)17-18-12(9-15)13(16)19-4-6-20-7-5-19/h1-3,8,16-17H,4-7H2/b16-13-,18-12+
InChi Key : InChIKey=NJMIBMOSZMDAHC-LVQLHOOYSA-N
PubChem ID :
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 6 Ionization potential : 9.236877
Hydrogen bond donor count : 2 Electric dipole moment : 3.654
XLogP : 1.633 VDW volume : 249.177717
Molecular weight : 275.118238 HOMO-LUMO gap : 8.065000
Herb list :
Refrences & Litretures:
  
384.      Journal:'Cent. Eur. J. Chem'      Year:'2013'      Volume:'11'      Page:'1699'      DOI:'10.2478/s11532-013-0295-3'      Title:'Antioxidant and chemical properties of Inula helenium root extracts'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us