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530148-49-3

530148-49-3 structural image
Product Name: 5-IODO-2-[[[[3-(1-METHYLETHOXY)BENZOYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Formula: C18H17IN2O4S
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COMPUTED DESCRIPTORS

Molecular Weight 484.3 g/mol
XLogP3 4.5
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 5
Exact Mass 483.99538 g/mol
Monoisotopic Mass 483.99538 g/mol
Topological Polar Surface Area 120 Ų
Heavy Atom Count 26
Formal Charge 0
Complexity 531
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