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532939-36-9

532939-36-9 structural image
Product Name: 5-[[[(4-BUTOXYBENZOYL)AMINO]THIOXOMETHYL]AMINO]-2-CHLORO-BENZOIC ACID
Formula: C19H19ClN2O4S
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COMPUTED DESCRIPTORS

Molecular Weight 406.9 g/mol
XLogP3 4.9
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 7
Exact Mass 406.0754060 g/mol
Monoisotopic Mass 406.0754060 g/mol
Topological Polar Surface Area 120 Ų
Heavy Atom Count 27
Formal Charge 0
Complexity 526
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