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114751-76-7

114751-76-7 structural image
Product Name: 2-AMINO-5-(4-AMYLPHENYL)-1,3,4-THIADIAZOLE
Formula: C13H17N3S
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COMPUTED DESCRIPTORS

Molecular Weight 247.36 g/mol
XLogP3 4.1
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 5
Exact Mass 247.11431873 g/mol
Monoisotopic Mass 247.11431873 g/mol
Topological Polar Surface Area 80 Ų
Heavy Atom Count 17
Formal Charge 0
Complexity 217
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