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861211-29-2

861211-29-2 structural image
Product Name: 4-(1,3-BENZODIOXOL-5-YL)-2-(4-HYDROXYSTYRYL)-5-OXO-5H-INDENO[1,2-B]PYRIDINE-3-CARBONITRILE
Formula: C28H16N2O4
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COMPUTED DESCRIPTORS

Molecular Weight 444.4 g/mol
XLogP3 5.1
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 3
Exact Mass 444.11100700 g/mol
Monoisotopic Mass 444.11100700 g/mol
Topological Polar Surface Area 92.4 Ų
Heavy Atom Count 34
Formal Charge 0
Complexity 843
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