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536979-91-6

536979-91-6 structural image
Product Name: 5-IODO-2-[[[(4-METHOXY-3-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Formula: C16H12IN3O6S
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COMPUTED DESCRIPTORS

Molecular Weight 501.3 g/mol
XLogP3 3.5
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 4
Exact Mass 500.94915 g/mol
Monoisotopic Mass 500.94915 g/mol
Topological Polar Surface Area 166 Ų
Heavy Atom Count 27
Formal Charge 0
Complexity 601
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