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532953-52-9

532953-52-9 structural image
Product Name: 2-[[[[4-(HEXYLOXY)BENZOYL]AMINO]THIOXOMETHYL]AMINO]-3,5-DIIODO-BENZOIC ACID
Formula: C21H22I2N2O4S
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COMPUTED DESCRIPTORS

Molecular Weight 652.3 g/mol
XLogP3 6.6
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 9
Exact Mass 651.93897 g/mol
Monoisotopic Mass 651.93897 g/mol
Topological Polar Surface Area 120 Ų
Heavy Atom Count 30
Formal Charge 0
Complexity 587
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