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68302-12-5

68302-12-5 structural image
Product Name: 2-AMINO-7-ISOPROPYL-5-OXO-5 H-[1]BENZOPYRANO[2,3-B]PYRIDINE-3-CARBONITRILE
Formula: C16H13N3O2
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COMPUTED DESCRIPTORS

Molecular Weight 279.29 g/mol
XLogP3 3.3
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 1
Exact Mass 279.100776666 g/mol
Monoisotopic Mass 279.100776666 g/mol
Topological Polar Surface Area 89 Ų
Heavy Atom Count 21
Formal Charge 0
Complexity 469
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