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Homecas133538-58-6

133538-58-6

133538-58-6 structural image
Product Name: I-SAP
Formula: C22H30INO4S
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COMPUTED DESCRIPTORS

Molecular Weight 531.4 g/mol
XLogP3 5.1
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 9
Exact Mass 531.09403 g/mol
Monoisotopic Mass 531.09403 g/mol
Topological Polar Surface Area 91.8 Ų
Heavy Atom Count 29
Formal Charge 0
Complexity 707
Isotope Atom Count 0
Defined Atom Stereocenter Count 4
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes