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Chem Bicalutamide | Cheminformatics

Bicalutamide


  • SKU Code: CH136930
Chemical Name - Bicalutamide
Mol Weight - 430.377
Smiles - CC(CS(c(cc1)ccc1F)(=O)=O)(C(Nc(cc1)cc(C(F)(F)F)c1C#N)=O)O
Property Name Property Value
Mol NameBicalutamide
Molweight430.377
Monoisotopic Mass430.06104
Clogp2.1426
Clogs-5.084
H Acceptors6
H Donors2
Total Surface Area291.11
Relative Psa0.27392
Polar Surface Area115.64
Druglikeness-11.827
Mutagenicnone
Tumorigenicnone
Reproductive Effectivelow
Irritantnone
Shape Index0.55172
Molecular Flexibility0.55336
Molecular Complexity0.79764
Fragments1
Non H Atoms29
Non Ch Atoms11
Electronegative Atoms11
Stereo Centers1
Rotatable Bonds6
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms12
Sp3 Atoms6
Symmetric Atoms5
Amides1
SmilesCC(CS(c(cc1)ccc1F)(=O)=O)(C(Nc(cc1)cc(C(F)(F)F)c1C#N)=O)O
InChIKey
InChIC18H14N2O4F4S

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