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Chem Febuxostat | Cheminformatics

Febuxostat


  • SKU Code: CH136902
Chemical Name - Febuxostat
Mol Weight - 316.38
Smiles - CC(C)COc(ccc(-c1nc(C)c(C(O)=O)s1)c1)c1C#N
Property Name Property Value
Mol NameFebuxostat
Molweight316.38
Monoisotopic Mass316.088163
Clogp3.1245
Clogs-3.955
H Acceptors5
H Donors1
Total Surface Area246.57
Relative Psa0.32863
Polar Surface Area111.45
Druglikeness-2.415
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Shape Index0.59091
Molecular Flexibility0.44155
Molecular Complexity0.77499
Fragments1
Non H Atoms22
Non Ch Atoms6
Electronegative Atoms6
Rotatable Bonds5
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms11
Sp3 Atoms7
Symmetric Atoms1
Aromatic Nitrogens1
Acidic Oxygens1
SmilesCC(C)COc(ccc(-c1nc(C)c(C(O)=O)s1)c1)c1C#N
InChIKey
InChIC16H16N2O3S

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