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Chem 2 Mercapto 5 Methoxy Benzimidazole | Cheminformatics

2-MERCAPTO 5 METHOXY BENZIMIDAZOLE


  • SKU Code: CH136519
Chemical Name - 2-MERCAPTO 5 METHOXY BENZIMIDAZOLE
Mol Weight - 180.231
Smiles - COc(cc1)cc([nH]2)c1nc2S
Property Name Property Value
Mol Name2-MERCAPTO 5 METHOXY BENZIMIDAZOLE
Molweight180.231
Monoisotopic Mass180.035733
Clogp1.3723
Clogs-2.72
H Acceptors3
H Donors1
Total Surface Area134.31
Relative Psa0.42864
Polar Surface Area76.71
Druglikeness-2.9196
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Shape Index0.66667
Molecular Flexibility0.18263
Molecular Complexity0.72397
Fragments1
Non H Atoms12
Non Ch Atoms4
Electronegative Atoms4
Rotatable Bonds1
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms9
Sp3 Atoms3
Aromatic Nitrogens2
Basic Nitrogens1
SmilesCOc(cc1)cc([nH]2)c1nc2S
InChIKey

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