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35873-47-3

35873-47-3 structural image
Product Name: 8-cyclopropyltheophylline
Formula: C10H12N4O2
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COMPUTED DESCRIPTORS

Molecular Weight 220.23 g/mol
XLogP3 0.6
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 1
Exact Mass 220.09602564 g/mol
Monoisotopic Mass 220.09602564 g/mol
Topological Polar Surface Area 69.3 Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 355
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