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Entacapone


  • SKU Code: CH136898
Chemical Name - Entacapone
Mol Weight - 305.289
Smiles - CCN(CC)C(/C(/C#N)=C/c(cc1O)cc([N+]([O-])=O)c1O)=O
Property Name Property Value
Mol NameEntacapone
Molweight305.289
Monoisotopic Mass305.101172
Clogp0.7457
Clogs-2.369
H Acceptors8
H Donors2
Total Surface Area236.14
Relative Psa0.36745
Polar Surface Area130.38
Druglikeness-4.6514
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Shape Index0.5
Molecular Flexibility0.58804
Molecular Complexity0.77373
Fragments1
Non H Atoms22
Non Ch Atoms8
Electronegative Atoms8
Rotatable Bonds5
Rings Closures1
Small Rings1
Aromatic Rings1
Aromatic Atoms6
Sp3 Atoms7
Symmetric Atoms2
Amides1
Acidic Oxygens1
SmilesCCN(CC)C(/C(/C#N)=C/c(cc1O)cc([N+]([O-])=O)c1O)=O
InChIC14H15N3O5

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