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15518-82-8

15518-82-8 structural image
Product Name: metescufylline
Formula: C13H21N5O2.C12H10O6
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COMPUTED DESCRIPTORS

Molecular Weight 529.5 g/mol
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 10
Rotatable Bond Count 8
Exact Mass 529.21726296 g/mol
Monoisotopic Mass 529.21726296 g/mol
Topological Polar Surface Area 155 Ų
Heavy Atom Count 38
Formal Charge 0
Complexity 773
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 2
Compound Is Canonicalized Yes