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42754-82-5

42754-82-5 structural image
Product Name: 1H-Pyrazolo[3,4-d]pyriMidine-4,6(5H,7H)-dione, 3-phenyl-
Formula: C11H8N4O2
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COMPUTED DESCRIPTORS

Molecular Weight 228.21 g/mol
XLogP3 0.7
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 1
Exact Mass 228.06472551 g/mol
Monoisotopic Mass 228.06472551 g/mol
Topological Polar Surface Area 86.9 Ų
Heavy Atom Count 17
Formal Charge 0
Complexity 340
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