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891030-19-6

891030-19-6 structural image
Product Name: Pyrimido[5,4-e]-1,2,4-triazine-5,7(1H,6H)-dione, 1,6-dimethyl-3-(4-nitrophenyl)-
Formula: C13H10N6O4
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COMPUTED DESCRIPTORS

Molecular Weight 314.26 g/mol
XLogP3 0.8
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 1
Exact Mass 314.07635282 g/mol
Monoisotopic Mass 314.07635282 g/mol
Topological Polar Surface Area 124 Ų
Heavy Atom Count 23
Formal Charge 0
Complexity 668
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