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Benfotiamine


  • SKU Code: CH136936
Chemical Name - Benfotiamine
Mol Weight - 466.454
Smiles - C/C(/N(Cc1c(N)nc(C)nc1)C=O)=C(CCOP(O)(O)=O)/SC(c1ccccc1)=O
Property Name Property Value
Mol NameBenfotiamine
Molweight466.454
Monoisotopic Mass466.107593
Clogp-1.3257
Clogs-2.513
H Acceptors10
H Donors3
Total Surface Area339.33
Relative Psa0.40536
Polar Surface Area191.05
Druglikeness-14.05
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Shape Index0.48387
Molecular Flexibility0.57409
Molecular Complexity0.76657
Fragments1
Non H Atoms31
Non Ch Atoms12
Electronegative Atoms12
Rotatable Bonds10
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms12
Sp3 Atoms10
Symmetric Atoms3
Amides1
Aromatic Nitrogens2
Acidic Oxygens2
SmilesC/C(/N(Cc1c(N)nc(C)nc1)C=O)=C(CCOP(O)(O)=O)/SC(c1ccccc1)=O
InChIC19H23N4O6PS

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