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ScientificNameLabel
1,2-Dihgdro-1-methyl-2-trifuoro acetyl methylene quinoline
PHCD compound ID : 1892
Chemical Names :
1,2-Dihgdro-1-methyl-2-trifuoro acetyl methylene quinoline
Molecular Formula : C13H10F3N1O1
Molecular Weight : 253.071449
More Details :
Names & Synonyms:
Smiles: O=C(C(F)(F)F)/C=c/1\ccc2c(n1C)cccc2
InChi : InChI=1S/C13H10F3NO/c1-17-10(8-12(18)13(14,15)16)7-6-9-4-2-3-5-11(9)17/h2-8H,1H3/b10-8+
InChi Key : InChIKey=LWNNYODNXGGNOQ-CSKARUKUSA-N
PubChem ID :
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 8.823795
Hydrogen bond donor count : 0 Electric dipole moment : 8.696
XLogP : 2.588 VDW volume : 219.962253
Molecular weight : 253.071449 HOMO-LUMO gap : 7.432000
Herb list :
Refrences & Litretures:
  
223.      Journal:'J. Med. Plants Res'      Year:'2013'      Volume:'7'      Page:'3003'      DOI:'10.5897/JMPR12.1270'      Title:'Chemical composition of the essential oil of Mentha pulegium L. from Taftan Area by means of gas chromatography/mass spectrometry (GC/MS)'
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