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Dabigatran


  • SKU Code: CH136954
Chemical Name - Dabigatran
Mol Weight - 471.52
Smiles - Cn1c(ccc(C(N(CCC(O)=O)c2ncccc2)=O)c2)c2nc1CNc(cc1)ccc1C(N)=N
Property Name Property Value
Mol NameDabigatran
Molweight471.52
Monoisotopic Mass471.201888
Clogp1.7787
Clogs-2.689
H Acceptors10
H Donors4
Total Surface Area360.08
Relative Psa0.31624
Polar Surface Area150.22
Druglikeness4.5853
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Shape Index0.54286
Molecular Flexibility0.50994
Molecular Complexity0.86659
Fragments1
Non H Atoms35
Non Ch Atoms10
Electronegative Atoms10
Rotatable Bonds9
Rings Closures4
Small Rings4
Aromatic Rings4
Aromatic Atoms21
Sp3 Atoms5
Symmetric Atoms2
Amides1
Amines1
Aromatic Amines1
Aromatic Nitrogens3
Basic Nitrogens2
Acidic Oxygens1
SmilesCn1c(ccc(C(N(CCC(O)=O)c2ncccc2)=O)c2)c2nc1CNc(cc1)ccc1C(N)=N
InChIC25H25N7O3

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