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112100-07-9

Product Name: Anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone
Formula: C72H58N2O8
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COMPUTED DESCRIPTORS

Molecular Weight 1079.2 g/mol
XLogP3 17.4
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 14
Exact Mass 1078.41931681 g/mol
Monoisotopic Mass 1078.41931681 g/mol
Topological Polar Surface Area 112 Ų
Heavy Atom Count 82
Formal Charge 0
Complexity 1940
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

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