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306936-85-6

306936-85-6 structural image
Product Name: 4-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-5-METHYL-4H-1,2,4-TRIAZOLE-3-THIOL
Formula: C11H11N3O2S
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COMPUTED DESCRIPTORS

Molecular Weight 249.29 g/mol
XLogP3 1.3
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 1
Exact Mass 249.05719778 g/mol
Monoisotopic Mass 249.05719778 g/mol
Topological Polar Surface Area 78.2 Ų
Heavy Atom Count 17
Formal Charge 0
Complexity 361
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