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Chem Mebendazole | Cheminformatics

Mebendazole


  • SKU Code: CH136896
Chemical Name - Mebendazole
Mol Weight - 295.297
Smiles - COC(Nc1nc(ccc(C(c2ccccc2)=O)c2)c2[nH]1)=O
Property Name Property Value
Mol NameMebendazole
Molweight295.297
Monoisotopic Mass295.095692
Clogp2.6656
Clogs-4.855
H Acceptors6
H Donors2
Total Surface Area225.17
Relative Psa0.32198
Polar Surface Area84.08
Druglikeness-2.7375
Mutagenicnone
Tumorigenicnone
Reproductive Effectivehigh
Irritantnone
Shape Index0.63636
Molecular Flexibility0.38046
Molecular Complexity0.77749
Fragments1
Non H Atoms22
Non Ch Atoms6
Electronegative Atoms6
Rotatable Bonds4
Rings Closures3
Small Rings3
Aromatic Rings3
Aromatic Atoms15
Sp3 Atoms2
Symmetric Atoms2
Amides1
Aromatic Nitrogens2
Basic Nitrogens1
SmilesCOC(Nc1nc(ccc(C(c2ccccc2)=O)c2)c2[nH]1)=O
InChIKey
InChIC16H13N3O3

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1 - Mebendazole
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