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103814-80-8

103814-80-8 structural image
Product Name: 7-(1,3-thiazolidin-2-ylmethyl)theophylline
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COMPUTED DESCRIPTORS

Molecular Weight 281.34 g/mol
XLogP3 -0.4
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 2
Exact Mass 281.09464591 g/mol
Monoisotopic Mass 281.09464591 g/mol
Topological Polar Surface Area 95.8 Ų
Heavy Atom Count 19
Formal Charge 0
Complexity 407
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes