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531541-11-4

531541-11-4 structural image
Product Name: 5-IODO-2-[[[(2-METHYLBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Formula: C16H13IN2O3S
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COMPUTED DESCRIPTORS

Molecular Weight 440.3 g/mol
XLogP3 4.1
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 3
Exact Mass 439.96916 g/mol
Monoisotopic Mass 439.96916 g/mol
Topological Polar Surface Area 111 Ų
Heavy Atom Count 23
Formal Charge 0
Complexity 474
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