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942852-81-5

942852-81-5 structural image
Product Name: VITAS-BB TBB000641
Formula: C8H11N3O3
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COMPUTED DESCRIPTORS

Molecular Weight 197.19 g/mol
XLogP3 0.2
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 3
Exact Mass 197.08004122 g/mol
Monoisotopic Mass 197.08004122 g/mol
Topological Polar Surface Area 80.7 Ų
Heavy Atom Count 14
Formal Charge 0
Complexity 239
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes