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531540-77-9

531540-77-9 structural image
Product Name: 2-[[[[3-(4-CHLOROPHENYL)-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-3,5-DIIODO-BENZOIC ACID
Formula: C17H11ClI2N2O3S
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COMPUTED DESCRIPTORS

Molecular Weight 612.6 g/mol
XLogP3 5.4
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 4
Exact Mass 611.82684 g/mol
Monoisotopic Mass 611.82684 g/mol
Topological Polar Surface Area 111 Ų
Heavy Atom Count 26
Formal Charge 0
Complexity 570
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 1
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes