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304698-96-2

304698-96-2 structural image
Product Name: H-HIS(1-TRT)-OTBU
Formula: C29H31N3O2
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COMPUTED DESCRIPTORS

Molecular Weight 453.6 g/mol
XLogP3 5.1
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 9
Exact Mass 453.24162724 g/mol
Monoisotopic Mass 453.24162724 g/mol
Topological Polar Surface Area 70.1 Ų
Heavy Atom Count 34
Formal Charge 0
Complexity 597
Isotope Atom Count 0
Defined Atom Stereocenter Count 1
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes