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378198-98-2

378198-98-2 structural image
Product Name: isonicotinaldehyde (7-benzyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazone
Formula: C20H19N7O2
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COMPUTED DESCRIPTORS

Molecular Weight 389.4 g/mol
XLogP3 2
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 5
Exact Mass 389.16002287 g/mol
Monoisotopic Mass 389.16002287 g/mol
Topological Polar Surface Area 95.7 Ų
Heavy Atom Count 29
Formal Charge 0
Complexity 630
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes