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531529-74-5

531529-74-5 structural image
Product Name: 2-[[[(4-ETHOXYBENZOYL)AMINO]THIOXOMETHYL]AMINO]-3,5-DIIODO-BENZOIC ACID
Formula: C17H14I2N2O4S
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COMPUTED DESCRIPTORS

Molecular Weight 596.2 g/mol
XLogP3 4.7
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 5
Exact Mass 595.87637 g/mol
Monoisotopic Mass 595.87637 g/mol
Topological Polar Surface Area 120 Ų
Heavy Atom Count 26
Formal Charge 0
Complexity 529
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