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ScientificNameLabel
5-Acetyl-3-(2-aminoethyl)indole-2-carboxylic acid
PHCD compound ID : 3758
Chemical Names :
5-Acetyl-3-(2-aminoethyl)indole-2-carboxylic acid
Molecular Formula : C13H14N2O3
Molecular Weight : 246.100442
More Details :
Names & Synonyms: 5-acetyl-3-(2-aminoethyl)-1H-indole-2-carboxylic acid , 3-(2-azanylethyl)-5-ethanoyl-1H-indole-2-carboxylic acid
Smiles: NCCc1c([nH]c2c1cc(cc2)C(=O)C)C(=O)O
InChi : InChI=1S/C13H14N2O3/c1-7(16)8-2-3-11-10(6-8)9(4-5-14)12(15-11)13(17)18/h2-3,6,15H,4-5,14H2,1H3,(H,17,18)
InChi Key : InChIKey=RQXIONIESKZFFC-UHFFFAOYSA-N
PubChem ID : 536726
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 5 Ionization potential : 9.115352
Hydrogen bond donor count : 3 Electric dipole moment : 3.556
XLogP : -2.296 VDW volume : 219.43679
Molecular weight : 246.100442 HOMO-LUMO gap : 8.054000
Herb list :
Refrences & Litretures:
  
513.      Journal:'J. of Supercritical Fluids'      Year:'2014'      Volume:'95'      Page:'373'      DOI:'10.1016/j.sup?u.2014.08.009'      Title:'Bio-oil production from Glycyrrhiza glabra through supercritical ?uid extraction'
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