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Taurine
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 :
- Agaricus campestris - قارچ چمنزار
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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