Chem Taurine 2 | Cheminformatics
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2D Structure

Taurine


  • SKU Code: CH138592
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Chemical Name - Taurine
Mol Weight - 125.148
Smiles - NCCS(O)(=O)=O
Property Name Property Value
Mol NameTaurine
Molweight125.148
Monoisotopic Mass125.014664
Clogp-4.3744
Clogs0.223
H Acceptors4
H Donors2
Total Surface Area84.47
Relative Psa0.6742
Polar Surface Area88.77
Druglikeness-7.4541
Mutagenichigh
Tumorigenicnone
Reproductive Effectivehigh
Irritantnone
Shape Index0.71429
Molecular Flexibility0.79369
Molecular Complexity0.69315
Fragments1
Non H Atoms7
Non Ch Atoms5
Electronegative Atoms5
Rotatable Bonds2
Sp3 Atoms5
Symmetric Atoms1
Amines1
Alkyl Amines1
Basic Nitrogens1
Acidic Oxygens1
SmilesNCCS(O)(=O)=O
InChIKeyInChI=1S/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6)
InChIXOAAWQZATWQOTB-UHFFFAOYSA-N

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