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21493-27-6

21493-27-6 structural image
Product Name: (((4-HYDROXY-9,10-DIOXOANTHRYL)AMINO)METHYLENE)METHANE-1,1-DICARBONITRILE
Formula: C18H9N3O3
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COMPUTED DESCRIPTORS

Molecular Weight 315.3 g/mol
XLogP3 3.4
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 2
Exact Mass 315.06439116 g/mol
Monoisotopic Mass 315.06439116 g/mol
Topological Polar Surface Area 114 Ų
Heavy Atom Count 24
Formal Charge 0
Complexity 662
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