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141660-63-1

141660-63-1 structural image
Product Name: Iofratol
Formula: C31H36I6N6O13
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COMPUTED DESCRIPTORS

Molecular Weight 1462.1 g/mol
XLogP3 -1.9
Hydrogen Bond Donor Count 13
Hydrogen Bond Acceptor Count 13
Rotatable Bond Count 18
Exact Mass 1461.6609 g/mol
Monoisotopic Mass 1461.6609 g/mol
Topological Polar Surface Area 316 Ų
Heavy Atom Count 56
Formal Charge 0
Complexity 1280
Isotope Atom Count 0
Defined Atom Stereocenter Count 2
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes