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Chem 5 Difluoromethoxy 2 Mercapto 1h Benzimidazole Unilink | Cheminformatics

5-(DIFLUOROMETHOXY)-2-MERCAPTO-1H-BENZIMIDAZOLE


  • SKU Code: CH139794
Chemical Name - 5-(DIFLUOROMETHOXY)-2-MERCAPTO-1H-BENZIMIDAZOLE
Mol Weight - 216.211
Smiles - FC(Oc(cc1)cc2c1[nH]c(S)n2)F
Property Name Property Value
Mol Name5-(DIFLUOROMETHOXY)-2-MERCAPTO-1H-BENZIMIDAZOLE
Molweight216.211
Monoisotopic Mass216.016889
Clogp1.6117
Clogs-3.324
H Acceptors3
H Donors1
Total Surface Area147.25
Relative Psa0.39097
Polar Surface Area76.71
Druglikeness-5.6219
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Shape Index0.64286
Molecular Flexibility0.36127
Molecular Complexity0.68745
Fragments1
Non H Atoms14
Non Ch Atoms6
Electronegative Atoms6
Rotatable Bonds2
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms9
Sp3 Atoms3
Symmetric Atoms1
Aromatic Nitrogens2
Basic Nitrogens1
SmilesFC(Oc(cc1)cc2c1[nH]c(S)n2)F
InChIKeyInChI=1S/C8H6F2N2OS/c9-7(10)13-4-1-2-5-6(3-4)12-8(14)11-5/h1-3,7H,(H2,11,12,14)
InChIHJMVPNAZPFZXCP-UHFFFAOYSA-N

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