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Chem Etoricoxib | Cheminformatics

Etoricoxib


  • SKU Code: CH136911
Chemical Name - Etoricoxib
Mol Weight - 358.848
Smiles - Cc(cc1)ncc1-c(c(-c(cc1)ccc1S(C)(=O)=O)c1)ncc1Cl
Property Name Property Value
Mol NameEtoricoxib
Molweight358.848
Monoisotopic Mass358.054275
Clogp3.0731
Clogs-5.411
H Acceptors4
Total Surface Area258.82
Relative Psa0.19519
Polar Surface Area68.3
Druglikeness0.23028
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Shape Index0.54167
Molecular Flexibility0.4083
Molecular Complexity0.807
Fragments1
Non H Atoms24
Non Ch Atoms6
Electronegative Atoms6
Rotatable Bonds3
Rings Closures3
Small Rings3
Aromatic Rings3
Aromatic Atoms18
Sp3 Atoms3
Symmetric Atoms3
Aromatic Nitrogens2
SmilesCc(cc1)ncc1-c(c(-c(cc1)ccc1S(C)(=O)=O)c1)ncc1Cl
InChIKey
InChIC18H15N2O2ClS

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