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46721-85-1

46721-85-1 structural image
Product Name: CBS-1114
Formula: C13H13N3
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COMPUTED DESCRIPTORS

Molecular Weight 211.26 g/mol
XLogP3 3
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 3
Exact Mass 211.110947427 g/mol
Monoisotopic Mass 211.110947427 g/mol
Topological Polar Surface Area 50.4 Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 225
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes