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101439-76-3

101439-76-3 structural image
Product Name: 4-[(5Z)-5-BENZYLIDENE-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-3-YL]BENZOIC ACID
Formula: C17H11NO3S2
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COMPUTED DESCRIPTORS

Molecular Weight 341.4 g/mol
XLogP3 4.1
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 3
Exact Mass 341.01803556 g/mol
Monoisotopic Mass 341.01803556 g/mol
Topological Polar Surface Area 115 Ų
Heavy Atom Count 23
Formal Charge 0
Complexity 532
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