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Etravirine


  • SKU Code: CH136926
Chemical Name - Etravirine
Mol Weight - 435.284
Smiles - Cc1cc(C#N)cc(C)c1Oc(nc(Nc(cc1)ccc1C#N)nc1N)c1Br
Property Name Property Value
Mol NameEtravirine
Molweight435.284
Monoisotopic Mass434.04907
Clogp4.5016
Clogs-8.952
H Acceptors7
H Donors2
Total Surface Area306.85
Relative Psa0.27958
Polar Surface Area120.64
Druglikeness-7.1291
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Shape Index0.60714
Molecular Flexibility0.40998
Molecular Complexity0.7971
Fragments1
Non H Atoms28
Non Ch Atoms8
Electronegative Atoms8
Rotatable Bonds4
Rings Closures3
Small Rings3
Aromatic Rings3
Aromatic Atoms18
Sp3 Atoms3
Symmetric Atoms5
Aromatic Nitrogens2
Basic Nitrogens2
SmilesCc1cc(C#N)cc(C)c1Oc(nc(Nc(cc1)ccc1C#N)nc1N)c1Br
InChIC20H15N6OBr

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