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ScientificNameLabel
Taurine
PHCD compound ID : 5026
Chemical Names :
Taurine
Molecular Formula : C2H7N1O3S1
Molecular Weight : 125.014664
More Details :
Names & Synonyms: 2-aminoethanesulfonic acid , 2-azanylethanesulfonic acid
Smiles: NCCS(=O)(=O)O
InChi : InChI=1S/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6)
InChi Key : InChIKey=XOAAWQZATWQOTB-UHFFFAOYSA-N
PubChem ID : 1123
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 4 Ionization potential : 9.987653
Hydrogen bond donor count : 2 Electric dipole moment : 3.275
XLogP : -1.678 VDW volume : 99.024892
Molecular weight : 125.014664 HOMO-LUMO gap : 10.522000
Herb list :
Refrences & Litretures:
  
785.      Journal:'J. Agric. Food Chem'      Year:'1967'      Volume:'15'      Page:'1040'      DOI:'10.1021/jf60154a024'      Title:'Mushroom ninhydrin-positive compounds. Amino acids, related compounds, and other nitrogenous substances found in cultivated mushroom, Agaricus campestris'
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