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898653-22-0

898653-22-0 structural image
Product Name: 2-[[1-(2,4-dimethylphenyl)tetrazol-5-yl]methylsulfanyl]-1H-benzimidazole
Formula: C17H16N6S
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COMPUTED DESCRIPTORS

Molecular Weight 336.4 g/mol
XLogP3 3.9
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 4
Exact Mass 336.11571571 g/mol
Monoisotopic Mass 336.11571571 g/mol
Topological Polar Surface Area 97.6 Ų
Heavy Atom Count 24
Formal Charge 0
Complexity 424
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes