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5069-63-6

5069-63-6 structural image
Product Name: 9H-Purine, 6-[[(2-nitrophenyl)methyl]thio]-
Formula: C12H9N5O2S
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COMPUTED DESCRIPTORS

Molecular Weight 287.30 g/mol
XLogP3 2.3
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 3
Exact Mass 287.04769572 g/mol
Monoisotopic Mass 287.04769572 g/mol
Topological Polar Surface Area 126 Ų
Heavy Atom Count 20
Formal Charge 0
Complexity 353
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